USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 570 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 SER OG : rot -130:sc= -0.907! USER MOD Set 1.2: A 93 LYS NZ :NH3+ 166:sc= -5.03! (180deg=-8.59!) USER MOD Set 2.1: A 51 SER OG : rot -150:sc= 0 USER MOD Set 2.2: A 84 THR OG1 : rot -163:sc= -1.96! USER MOD Set 3.1: A 20 LYS NZ :NH3+ 167:sc= 0 (180deg=0) USER MOD Set 3.2: A 27 MET CE :methyl 180:sc= -0.823 (180deg=-0.823) USER MOD Set 4.1: A 3 HIS : no HD1:sc= -0.968 K(o=-0.97,f=-0.43) USER MOD Set 4.2: A 13 SER OG : rot 180:sc=-0.00204 USER MOD Single : A 6 THR OG1 : rot 64:sc= 1.03 USER MOD Single : A 8 SER OG : rot -58:sc= 0.284 USER MOD Single : A 12 TYR OH : rot -96:sc= 1.58 USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.0481 X(o=-0.048,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.038 X(o=-0.038,f=0) USER MOD Single : A 30 THR OG1 : rot 166:sc= -1.81! USER MOD Single : A 34 ASN : amide:sc= -4.46! C(o=-4.5!,f=-7.3!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.108 X(o=-0.11,f=0) USER MOD Single : A 45 GLN : amide:sc= -0.0625 X(o=-0.062,f=0) USER MOD Single : A 46 THR OG1 : rot 108:sc= 0.185 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.438 USER MOD Single : A 50 ASN : amide:sc= -0.413 X(o=-0.41,f=-0.011) USER MOD Single : A 52 ASN : amide:sc= -1.11 X(o=-1.1,f=-1.5) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 30:sc= -2.55! USER MOD Single : A 63 ASN : amide:sc= -8.87! C(o=-8.9!,f=-23!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.183 USER MOD Single : A 71 THR OG1 : rot 130:sc= -1.45 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.716 X(o=-0.72,f=-1!) USER MOD Single : A 85 THR OG1 : rot 44:sc= 0.108 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -7.25! C(o=-7.2!,f=-14!) USER MOD Single : A 88 TYR OH : rot 18:sc= 0.0447 USER MOD Single : A 90 GLN : amide:sc= -0.351 K(o=-0.35,f=-1.3!) USER MOD Single : A 92 GLN : amide:sc= -1.79 K(o=-1.8,f=-7.3!) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 108:sc= -1.12! USER MOD Single : A 98 THR OG1 : rot 51:sc= 0.867 USER MOD ----------------------------------------------------------------- ATOM 31 N HIS A 3 46.107 5.905 -41.731 1.00 0.00 N ATOM 32 CA HIS A 3 45.584 5.181 -40.578 1.00 0.00 C ATOM 33 C HIS A 3 46.039 5.833 -39.279 1.00 0.00 C ATOM 34 O HIS A 3 47.114 6.429 -39.215 1.00 0.00 O ATOM 35 CB HIS A 3 46.041 3.721 -40.615 1.00 0.00 C ATOM 36 CG HIS A 3 45.046 2.799 -41.250 1.00 0.00 C ATOM 37 ND1 HIS A 3 44.936 2.636 -42.615 1.00 0.00 N ATOM 38 CD2 HIS A 3 44.117 1.984 -40.700 1.00 0.00 C ATOM 39 CE1 HIS A 3 43.981 1.762 -42.876 1.00 0.00 C ATOM 40 NE2 HIS A 3 43.469 1.351 -41.732 1.00 0.00 N ATOM 0 HA HIS A 3 44.495 5.215 -40.621 1.00 0.00 H new ATOM 0 HB2 HIS A 3 46.983 3.657 -41.160 1.00 0.00 H new ATOM 0 HB3 HIS A 3 46.238 3.384 -39.597 1.00 0.00 H new ATOM 0 HD2 HIS A 3 43.921 1.855 -39.646 1.00 0.00 H new ATOM 0 HE1 HIS A 3 43.672 1.439 -43.859 1.00 0.00 H new ATOM 0 HE2 HIS A 3 42.714 0.673 -41.630 1.00 0.00 H new ATOM 49 N CYS A 4 45.217 5.713 -38.241 1.00 0.00 N ATOM 50 CA CYS A 4 45.544 6.290 -36.943 1.00 0.00 C ATOM 51 C CYS A 4 45.735 5.194 -35.901 1.00 0.00 C ATOM 52 O CYS A 4 45.274 4.069 -36.080 1.00 0.00 O ATOM 53 CB CYS A 4 44.446 7.257 -36.495 1.00 0.00 C ATOM 54 SG CYS A 4 42.802 6.891 -37.194 1.00 0.00 S ATOM 0 H CYS A 4 44.323 5.223 -38.274 1.00 0.00 H new ATOM 0 HA CYS A 4 46.478 6.843 -37.041 1.00 0.00 H new ATOM 0 HB2 CYS A 4 44.380 7.236 -35.407 1.00 0.00 H new ATOM 0 HB3 CYS A 4 44.732 8.270 -36.777 1.00 0.00 H new ATOM 59 N VAL A 5 46.422 5.527 -34.814 1.00 0.00 N ATOM 60 CA VAL A 5 46.674 4.565 -33.751 1.00 0.00 C ATOM 61 C VAL A 5 46.910 5.264 -32.417 1.00 0.00 C ATOM 62 O VAL A 5 46.764 6.482 -32.308 1.00 0.00 O ATOM 63 CB VAL A 5 47.891 3.680 -34.075 1.00 0.00 C ATOM 64 CG1 VAL A 5 47.786 3.119 -35.485 1.00 0.00 C ATOM 65 CG2 VAL A 5 49.182 4.466 -33.900 1.00 0.00 C ATOM 0 H VAL A 5 46.813 6.454 -34.647 1.00 0.00 H new ATOM 0 HA VAL A 5 45.785 3.938 -33.675 1.00 0.00 H new ATOM 0 HB VAL A 5 47.904 2.842 -33.378 1.00 0.00 H new ATOM 0 HG11 VAL A 5 48.656 2.496 -35.695 1.00 0.00 H new ATOM 0 HG12 VAL A 5 46.880 2.518 -35.571 1.00 0.00 H new ATOM 0 HG13 VAL A 5 47.746 3.940 -36.201 1.00 0.00 H new ATOM 0 HG21 VAL A 5 50.032 3.825 -34.133 1.00 0.00 H new ATOM 0 HG22 VAL A 5 49.179 5.324 -34.572 1.00 0.00 H new ATOM 0 HG23 VAL A 5 49.260 4.812 -32.869 1.00 0.00 H new ATOM 75 N THR A 6 47.275 4.484 -31.407 1.00 0.00 N ATOM 76 CA THR A 6 47.534 5.023 -30.079 1.00 0.00 C ATOM 77 C THR A 6 48.930 4.644 -29.600 1.00 0.00 C ATOM 78 O THR A 6 49.106 4.181 -28.472 1.00 0.00 O ATOM 79 CB THR A 6 46.497 4.520 -29.058 1.00 0.00 C ATOM 80 OG1 THR A 6 46.933 3.281 -28.485 1.00 0.00 O ATOM 81 CG2 THR A 6 45.140 4.328 -29.717 1.00 0.00 C ATOM 0 H THR A 6 47.398 3.474 -31.483 1.00 0.00 H new ATOM 0 HA THR A 6 47.460 6.108 -30.154 1.00 0.00 H new ATOM 0 HB THR A 6 46.401 5.269 -28.272 1.00 0.00 H new ATOM 0 HG1 THR A 6 47.758 3.428 -27.977 1.00 0.00 H new ATOM 0 HG21 THR A 6 44.423 3.972 -28.977 1.00 0.00 H new ATOM 0 HG22 THR A 6 44.797 5.278 -30.127 1.00 0.00 H new ATOM 0 HG23 THR A 6 45.226 3.596 -30.520 1.00 0.00 H new ATOM 89 N ASP A 7 49.920 4.840 -30.466 1.00 0.00 N ATOM 90 CA ASP A 7 51.304 4.519 -30.138 1.00 0.00 C ATOM 91 C ASP A 7 51.610 3.057 -30.446 1.00 0.00 C ATOM 92 O ASP A 7 52.612 2.742 -31.088 1.00 0.00 O ATOM 93 CB ASP A 7 51.582 4.811 -28.663 1.00 0.00 C ATOM 94 CG ASP A 7 53.057 5.025 -28.384 1.00 0.00 C ATOM 95 OD1 ASP A 7 53.814 4.032 -28.399 1.00 0.00 O ATOM 96 OD2 ASP A 7 53.454 6.187 -28.153 1.00 0.00 O ATOM 0 H ASP A 7 49.788 5.221 -31.403 1.00 0.00 H new ATOM 0 HA ASP A 7 51.952 5.145 -30.752 1.00 0.00 H new ATOM 0 HB2 ASP A 7 51.025 5.698 -28.360 1.00 0.00 H new ATOM 0 HB3 ASP A 7 51.217 3.982 -28.056 1.00 0.00 H new ATOM 101 N SER A 8 50.737 2.169 -29.986 1.00 0.00 N ATOM 102 CA SER A 8 50.908 0.738 -30.210 1.00 0.00 C ATOM 103 C SER A 8 49.845 -0.063 -29.464 1.00 0.00 C ATOM 104 O SER A 8 50.161 -0.861 -28.583 1.00 0.00 O ATOM 105 CB SER A 8 52.302 0.292 -29.763 1.00 0.00 C ATOM 106 OG SER A 8 52.494 -1.092 -29.995 1.00 0.00 O ATOM 0 H SER A 8 49.902 2.415 -29.455 1.00 0.00 H new ATOM 0 HA SER A 8 50.797 0.550 -31.278 1.00 0.00 H new ATOM 0 HB2 SER A 8 53.059 0.862 -30.301 1.00 0.00 H new ATOM 0 HB3 SER A 8 52.434 0.508 -28.703 1.00 0.00 H new ATOM 0 HG SER A 8 51.809 -1.602 -29.515 1.00 0.00 H new ATOM 112 N GLY A 9 48.584 0.156 -29.822 1.00 0.00 N ATOM 113 CA GLY A 9 47.497 -0.555 -29.174 1.00 0.00 C ATOM 114 C GLY A 9 46.289 -0.718 -30.073 1.00 0.00 C ATOM 115 O GLY A 9 45.763 -1.821 -30.227 1.00 0.00 O ATOM 0 H GLY A 9 48.296 0.812 -30.548 1.00 0.00 H new ATOM 0 HA2 GLY A 9 47.847 -1.538 -28.860 1.00 0.00 H new ATOM 0 HA3 GLY A 9 47.204 -0.018 -28.272 1.00 0.00 H new ATOM 119 N VAL A 10 45.847 0.383 -30.667 1.00 0.00 N ATOM 120 CA VAL A 10 44.691 0.363 -31.555 1.00 0.00 C ATOM 121 C VAL A 10 45.060 0.857 -32.950 1.00 0.00 C ATOM 122 O VAL A 10 45.880 1.761 -33.103 1.00 0.00 O ATOM 123 CB VAL A 10 43.543 1.229 -31.004 1.00 0.00 C ATOM 124 CG1 VAL A 10 42.217 0.809 -31.616 1.00 0.00 C ATOM 125 CG2 VAL A 10 43.491 1.141 -29.486 1.00 0.00 C ATOM 0 H VAL A 10 46.272 1.303 -30.550 1.00 0.00 H new ATOM 0 HA VAL A 10 44.358 -0.673 -31.615 1.00 0.00 H new ATOM 0 HB VAL A 10 43.730 2.267 -31.279 1.00 0.00 H new ATOM 0 HG11 VAL A 10 41.418 1.432 -31.215 1.00 0.00 H new ATOM 0 HG12 VAL A 10 42.262 0.929 -32.698 1.00 0.00 H new ATOM 0 HG13 VAL A 10 42.019 -0.235 -31.374 1.00 0.00 H new ATOM 0 HG21 VAL A 10 42.674 1.759 -29.113 1.00 0.00 H new ATOM 0 HG22 VAL A 10 43.328 0.106 -29.187 1.00 0.00 H new ATOM 0 HG23 VAL A 10 44.433 1.495 -29.069 1.00 0.00 H new ATOM 135 N VAL A 11 44.444 0.257 -33.963 1.00 0.00 N ATOM 136 CA VAL A 11 44.701 0.635 -35.347 1.00 0.00 C ATOM 137 C VAL A 11 43.485 1.311 -35.965 1.00 0.00 C ATOM 138 O VAL A 11 42.674 0.669 -36.632 1.00 0.00 O ATOM 139 CB VAL A 11 45.086 -0.585 -36.203 1.00 0.00 C ATOM 140 CG1 VAL A 11 45.241 -0.184 -37.661 1.00 0.00 C ATOM 141 CG2 VAL A 11 46.362 -1.224 -35.677 1.00 0.00 C ATOM 0 H VAL A 11 43.763 -0.494 -33.851 1.00 0.00 H new ATOM 0 HA VAL A 11 45.536 1.335 -35.333 1.00 0.00 H new ATOM 0 HB VAL A 11 44.286 -1.322 -36.137 1.00 0.00 H new ATOM 0 HG11 VAL A 11 45.513 -1.059 -38.252 1.00 0.00 H new ATOM 0 HG12 VAL A 11 44.299 0.223 -38.028 1.00 0.00 H new ATOM 0 HG13 VAL A 11 46.022 0.571 -37.750 1.00 0.00 H new ATOM 0 HG21 VAL A 11 46.619 -2.085 -36.294 1.00 0.00 H new ATOM 0 HG22 VAL A 11 47.174 -0.497 -35.712 1.00 0.00 H new ATOM 0 HG23 VAL A 11 46.209 -1.548 -34.648 1.00 0.00 H new ATOM 151 N TYR A 12 43.368 2.614 -35.740 1.00 0.00 N ATOM 152 CA TYR A 12 42.255 3.387 -36.274 1.00 0.00 C ATOM 153 C TYR A 12 42.526 3.797 -37.717 1.00 0.00 C ATOM 154 O TYR A 12 43.550 3.433 -38.295 1.00 0.00 O ATOM 155 CB TYR A 12 42.017 4.633 -35.421 1.00 0.00 C ATOM 156 CG TYR A 12 41.570 4.333 -34.011 1.00 0.00 C ATOM 157 CD1 TYR A 12 40.281 3.886 -33.751 1.00 0.00 C ATOM 158 CD2 TYR A 12 42.438 4.497 -32.941 1.00 0.00 C ATOM 159 CE1 TYR A 12 39.870 3.609 -32.461 1.00 0.00 C ATOM 160 CE2 TYR A 12 42.037 4.221 -31.648 1.00 0.00 C ATOM 161 CZ TYR A 12 40.752 3.778 -31.413 1.00 0.00 C ATOM 162 OH TYR A 12 40.347 3.502 -30.127 1.00 0.00 O ATOM 0 H TYR A 12 44.032 3.158 -35.190 1.00 0.00 H new ATOM 0 HA TYR A 12 41.364 2.760 -36.249 1.00 0.00 H new ATOM 0 HB2 TYR A 12 42.937 5.217 -35.384 1.00 0.00 H new ATOM 0 HB3 TYR A 12 41.264 5.255 -35.906 1.00 0.00 H new ATOM 0 HD1 TYR A 12 39.589 3.753 -34.570 1.00 0.00 H new ATOM 0 HD2 TYR A 12 43.444 4.846 -33.122 1.00 0.00 H new ATOM 0 HE1 TYR A 12 38.864 3.262 -32.274 1.00 0.00 H new ATOM 0 HE2 TYR A 12 42.726 4.351 -30.826 1.00 0.00 H new ATOM 0 HH TYR A 12 40.060 4.331 -29.689 1.00 0.00 H new ATOM 172 N SER A 13 41.607 4.565 -38.286 1.00 0.00 N ATOM 173 CA SER A 13 41.746 5.037 -39.656 1.00 0.00 C ATOM 174 C SER A 13 41.315 6.494 -39.770 1.00 0.00 C ATOM 175 O SER A 13 40.405 6.938 -39.073 1.00 0.00 O ATOM 176 CB SER A 13 40.918 4.171 -40.604 1.00 0.00 C ATOM 177 OG SER A 13 41.707 3.699 -41.683 1.00 0.00 O ATOM 0 H SER A 13 40.755 4.875 -37.818 1.00 0.00 H new ATOM 0 HA SER A 13 42.797 4.963 -39.937 1.00 0.00 H new ATOM 0 HB2 SER A 13 40.500 3.325 -40.058 1.00 0.00 H new ATOM 0 HB3 SER A 13 40.078 4.749 -40.989 1.00 0.00 H new ATOM 0 HG SER A 13 41.155 3.146 -42.275 1.00 0.00 H new ATOM 183 N VAL A 14 41.983 7.231 -40.649 1.00 0.00 N ATOM 184 CA VAL A 14 41.684 8.642 -40.858 1.00 0.00 C ATOM 185 C VAL A 14 40.187 8.922 -40.755 1.00 0.00 C ATOM 186 O VAL A 14 39.468 8.890 -41.753 1.00 0.00 O ATOM 187 CB VAL A 14 42.189 9.121 -42.232 1.00 0.00 C ATOM 188 CG1 VAL A 14 41.720 8.181 -43.330 1.00 0.00 C ATOM 189 CG2 VAL A 14 41.727 10.545 -42.503 1.00 0.00 C ATOM 0 H VAL A 14 42.740 6.872 -41.231 1.00 0.00 H new ATOM 0 HA VAL A 14 42.202 9.190 -40.070 1.00 0.00 H new ATOM 0 HB VAL A 14 43.279 9.114 -42.222 1.00 0.00 H new ATOM 0 HG11 VAL A 14 42.086 8.535 -44.293 1.00 0.00 H new ATOM 0 HG12 VAL A 14 42.106 7.179 -43.141 1.00 0.00 H new ATOM 0 HG13 VAL A 14 40.630 8.153 -43.344 1.00 0.00 H new ATOM 0 HG21 VAL A 14 42.093 10.867 -43.478 1.00 0.00 H new ATOM 0 HG22 VAL A 14 40.638 10.582 -42.494 1.00 0.00 H new ATOM 0 HG23 VAL A 14 42.119 11.208 -41.731 1.00 0.00 H new ATOM 199 N GLY A 15 39.728 9.207 -39.541 1.00 0.00 N ATOM 200 CA GLY A 15 38.323 9.502 -39.326 1.00 0.00 C ATOM 201 C GLY A 15 37.601 8.420 -38.546 1.00 0.00 C ATOM 202 O GLY A 15 36.411 8.186 -38.756 1.00 0.00 O ATOM 0 H GLY A 15 40.305 9.239 -38.700 1.00 0.00 H new ATOM 0 HA2 GLY A 15 38.234 10.448 -38.791 1.00 0.00 H new ATOM 0 HA3 GLY A 15 37.834 9.634 -40.291 1.00 0.00 H new ATOM 206 N MET A 16 38.315 7.763 -37.638 1.00 0.00 N ATOM 207 CA MET A 16 37.723 6.708 -36.823 1.00 0.00 C ATOM 208 C MET A 16 37.436 7.213 -35.414 1.00 0.00 C ATOM 209 O MET A 16 37.734 6.538 -34.430 1.00 0.00 O ATOM 210 CB MET A 16 38.649 5.494 -36.766 1.00 0.00 C ATOM 211 CG MET A 16 38.506 4.565 -37.959 1.00 0.00 C ATOM 212 SD MET A 16 38.848 2.843 -37.546 1.00 0.00 S ATOM 213 CE MET A 16 37.306 2.368 -36.771 1.00 0.00 C ATOM 0 H MET A 16 39.301 7.941 -37.448 1.00 0.00 H new ATOM 0 HA MET A 16 36.781 6.411 -37.284 1.00 0.00 H new ATOM 0 HB2 MET A 16 39.682 5.837 -36.705 1.00 0.00 H new ATOM 0 HB3 MET A 16 38.445 4.934 -35.853 1.00 0.00 H new ATOM 0 HG2 MET A 16 37.494 4.645 -38.357 1.00 0.00 H new ATOM 0 HG3 MET A 16 39.185 4.887 -38.748 1.00 0.00 H new ATOM 0 HE1 MET A 16 37.361 1.325 -36.460 1.00 0.00 H new ATOM 0 HE2 MET A 16 37.128 2.998 -35.900 1.00 0.00 H new ATOM 0 HE3 MET A 16 36.489 2.492 -37.481 1.00 0.00 H new ATOM 223 N GLN A 17 36.857 8.409 -35.336 1.00 0.00 N ATOM 224 CA GLN A 17 36.521 9.033 -34.058 1.00 0.00 C ATOM 225 C GLN A 17 36.233 7.989 -32.983 1.00 0.00 C ATOM 226 O GLN A 17 35.314 7.180 -33.117 1.00 0.00 O ATOM 227 CB GLN A 17 35.306 9.947 -34.224 1.00 0.00 C ATOM 228 CG GLN A 17 35.664 11.390 -34.538 1.00 0.00 C ATOM 229 CD GLN A 17 34.455 12.305 -34.529 1.00 0.00 C ATOM 230 OE1 GLN A 17 34.144 12.954 -35.528 1.00 0.00 O ATOM 231 NE2 GLN A 17 33.763 12.360 -33.396 1.00 0.00 N ATOM 0 H GLN A 17 36.609 8.970 -36.151 1.00 0.00 H new ATOM 0 HA GLN A 17 37.382 9.620 -33.739 1.00 0.00 H new ATOM 0 HB2 GLN A 17 34.675 9.557 -35.023 1.00 0.00 H new ATOM 0 HB3 GLN A 17 34.715 9.920 -33.309 1.00 0.00 H new ATOM 0 HG2 GLN A 17 36.391 11.747 -33.809 1.00 0.00 H new ATOM 0 HG3 GLN A 17 36.144 11.437 -35.516 1.00 0.00 H new ATOM 0 HE21 GLN A 17 34.056 11.805 -32.592 1.00 0.00 H new ATOM 0 HE22 GLN A 17 32.939 12.957 -33.330 1.00 0.00 H new ATOM 240 N TRP A 18 37.022 8.019 -31.913 1.00 0.00 N ATOM 241 CA TRP A 18 36.849 7.080 -30.809 1.00 0.00 C ATOM 242 C TRP A 18 36.947 7.802 -29.470 1.00 0.00 C ATOM 243 O TRP A 18 37.084 9.025 -29.421 1.00 0.00 O ATOM 244 CB TRP A 18 37.890 5.962 -30.889 1.00 0.00 C ATOM 245 CG TRP A 18 39.271 6.395 -30.502 1.00 0.00 C ATOM 246 CD1 TRP A 18 39.804 6.406 -29.246 1.00 0.00 C ATOM 247 CD2 TRP A 18 40.297 6.873 -31.380 1.00 0.00 C ATOM 248 NE1 TRP A 18 41.099 6.860 -29.288 1.00 0.00 N ATOM 249 CE2 TRP A 18 41.424 7.156 -30.587 1.00 0.00 C ATOM 250 CE3 TRP A 18 40.372 7.090 -32.759 1.00 0.00 C ATOM 251 CZ2 TRP A 18 42.612 7.643 -31.127 1.00 0.00 C ATOM 252 CZ3 TRP A 18 41.551 7.574 -33.294 1.00 0.00 C ATOM 253 CH2 TRP A 18 42.657 7.845 -32.479 1.00 0.00 C ATOM 0 H TRP A 18 37.786 8.682 -31.787 1.00 0.00 H new ATOM 0 HA TRP A 18 35.857 6.636 -30.889 1.00 0.00 H new ATOM 0 HB2 TRP A 18 37.581 5.143 -30.240 1.00 0.00 H new ATOM 0 HB3 TRP A 18 37.913 5.571 -31.906 1.00 0.00 H new ATOM 0 HD1 TRP A 18 39.283 6.102 -28.350 1.00 0.00 H new ATOM 0 HE1 TRP A 18 41.718 6.961 -28.484 1.00 0.00 H new ATOM 0 HE3 TRP A 18 39.524 6.883 -33.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 43.466 7.853 -30.501 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 41.620 7.746 -34.358 1.00 0.00 H new ATOM 0 HH2 TRP A 18 43.565 8.221 -32.927 1.00 0.00 H new ATOM 264 N LEU A 19 36.869 7.043 -28.381 1.00 0.00 N ATOM 265 CA LEU A 19 36.941 7.622 -27.045 1.00 0.00 C ATOM 266 C LEU A 19 37.716 6.724 -26.091 1.00 0.00 C ATOM 267 O LEU A 19 37.749 5.504 -26.256 1.00 0.00 O ATOM 268 CB LEU A 19 35.535 7.864 -26.498 1.00 0.00 C ATOM 269 CG LEU A 19 35.480 8.463 -25.091 1.00 0.00 C ATOM 270 CD1 LEU A 19 35.184 9.952 -25.160 1.00 0.00 C ATOM 271 CD2 LEU A 19 34.437 7.750 -24.245 1.00 0.00 C ATOM 0 H LEU A 19 36.756 6.029 -28.398 1.00 0.00 H new ATOM 0 HA LEU A 19 37.469 8.572 -27.123 1.00 0.00 H new ATOM 0 HB2 LEU A 19 35.006 8.529 -27.180 1.00 0.00 H new ATOM 0 HB3 LEU A 19 34.995 6.917 -26.494 1.00 0.00 H new ATOM 0 HG LEU A 19 36.453 8.325 -24.620 1.00 0.00 H new ATOM 0 HD11 LEU A 19 35.148 10.363 -24.151 1.00 0.00 H new ATOM 0 HD12 LEU A 19 35.968 10.453 -25.728 1.00 0.00 H new ATOM 0 HD13 LEU A 19 34.223 10.110 -25.650 1.00 0.00 H new ATOM 0 HD21 LEU A 19 34.414 8.191 -23.248 1.00 0.00 H new ATOM 0 HD22 LEU A 19 33.457 7.854 -24.711 1.00 0.00 H new ATOM 0 HD23 LEU A 19 34.691 6.693 -24.168 1.00 0.00 H new ATOM 283 N LYS A 20 38.334 7.339 -25.090 1.00 0.00 N ATOM 284 CA LYS A 20 39.105 6.603 -24.098 1.00 0.00 C ATOM 285 C LYS A 20 38.718 7.033 -22.686 1.00 0.00 C ATOM 286 O LYS A 20 37.965 7.988 -22.503 1.00 0.00 O ATOM 287 CB LYS A 20 40.603 6.822 -24.320 1.00 0.00 C ATOM 288 CG LYS A 20 41.036 8.271 -24.169 1.00 0.00 C ATOM 289 CD LYS A 20 42.550 8.406 -24.209 1.00 0.00 C ATOM 290 CE LYS A 20 43.161 8.243 -22.826 1.00 0.00 C ATOM 291 NZ LYS A 20 44.614 8.570 -22.818 1.00 0.00 N ATOM 0 H LYS A 20 38.316 8.348 -24.944 1.00 0.00 H new ATOM 0 HA LYS A 20 38.882 5.542 -24.211 1.00 0.00 H new ATOM 0 HB2 LYS A 20 41.160 6.210 -23.611 1.00 0.00 H new ATOM 0 HB3 LYS A 20 40.868 6.475 -25.319 1.00 0.00 H new ATOM 0 HG2 LYS A 20 40.595 8.869 -24.967 1.00 0.00 H new ATOM 0 HG3 LYS A 20 40.659 8.669 -23.227 1.00 0.00 H new ATOM 0 HD2 LYS A 20 42.965 7.656 -24.882 1.00 0.00 H new ATOM 0 HD3 LYS A 20 42.819 9.382 -24.614 1.00 0.00 H new ATOM 0 HE2 LYS A 20 42.640 8.890 -22.120 1.00 0.00 H new ATOM 0 HE3 LYS A 20 43.018 7.218 -22.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 44.944 8.662 -21.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 45.143 7.810 -23.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 44.771 9.467 -23.321 1.00 0.00 H new ATOM 379 N GLN A 26 36.704 11.146 -18.450 1.00 0.00 N ATOM 380 CA GLN A 26 36.308 10.775 -19.803 1.00 0.00 C ATOM 381 C GLN A 26 37.033 11.629 -20.838 1.00 0.00 C ATOM 382 O GLN A 26 36.930 12.856 -20.828 1.00 0.00 O ATOM 383 CB GLN A 26 34.795 10.922 -19.972 1.00 0.00 C ATOM 384 CG GLN A 26 34.189 9.900 -20.920 1.00 0.00 C ATOM 385 CD GLN A 26 33.101 9.070 -20.266 1.00 0.00 C ATOM 386 OE1 GLN A 26 33.169 7.841 -20.249 1.00 0.00 O ATOM 387 NE2 GLN A 26 32.091 9.739 -19.723 1.00 0.00 N ATOM 0 HA GLN A 26 36.585 9.733 -19.962 1.00 0.00 H new ATOM 0 HB2 GLN A 26 34.318 10.829 -18.997 1.00 0.00 H new ATOM 0 HB3 GLN A 26 34.574 11.924 -20.341 1.00 0.00 H new ATOM 0 HG2 GLN A 26 33.776 10.415 -21.787 1.00 0.00 H new ATOM 0 HG3 GLN A 26 34.975 9.239 -21.286 1.00 0.00 H new ATOM 0 HE21 GLN A 26 32.076 10.758 -19.760 1.00 0.00 H new ATOM 0 HE22 GLN A 26 31.330 9.234 -19.268 1.00 0.00 H new ATOM 396 N MET A 27 37.768 10.971 -21.728 1.00 0.00 N ATOM 397 CA MET A 27 38.513 11.665 -22.771 1.00 0.00 C ATOM 398 C MET A 27 38.204 11.070 -24.143 1.00 0.00 C ATOM 399 O MET A 27 38.239 9.852 -24.321 1.00 0.00 O ATOM 400 CB MET A 27 40.014 11.583 -22.489 1.00 0.00 C ATOM 401 CG MET A 27 40.848 12.534 -23.330 1.00 0.00 C ATOM 402 SD MET A 27 41.782 11.686 -24.617 1.00 0.00 S ATOM 403 CE MET A 27 43.433 11.733 -23.924 1.00 0.00 C ATOM 0 H MET A 27 37.864 9.956 -21.747 1.00 0.00 H new ATOM 0 HA MET A 27 38.208 12.711 -22.773 1.00 0.00 H new ATOM 0 HB2 MET A 27 40.188 11.797 -21.435 1.00 0.00 H new ATOM 0 HB3 MET A 27 40.353 10.562 -22.668 1.00 0.00 H new ATOM 0 HG2 MET A 27 40.194 13.275 -23.790 1.00 0.00 H new ATOM 0 HG3 MET A 27 41.538 13.075 -22.683 1.00 0.00 H new ATOM 0 HE1 MET A 27 44.128 11.245 -24.607 1.00 0.00 H new ATOM 0 HE2 MET A 27 43.736 12.770 -23.777 1.00 0.00 H new ATOM 0 HE3 MET A 27 43.440 11.213 -22.966 1.00 0.00 H new ATOM 413 N LEU A 28 37.899 11.932 -25.107 1.00 0.00 N ATOM 414 CA LEU A 28 37.578 11.484 -26.460 1.00 0.00 C ATOM 415 C LEU A 28 38.759 11.698 -27.401 1.00 0.00 C ATOM 416 O LEU A 28 39.280 12.806 -27.511 1.00 0.00 O ATOM 417 CB LEU A 28 36.355 12.230 -26.994 1.00 0.00 C ATOM 418 CG LEU A 28 36.036 11.968 -28.466 1.00 0.00 C ATOM 419 CD1 LEU A 28 34.603 11.490 -28.623 1.00 0.00 C ATOM 420 CD2 LEU A 28 36.275 13.220 -29.294 1.00 0.00 C ATOM 0 H LEU A 28 37.867 12.943 -24.978 1.00 0.00 H new ATOM 0 HA LEU A 28 37.357 10.418 -26.414 1.00 0.00 H new ATOM 0 HB2 LEU A 28 35.488 11.954 -26.394 1.00 0.00 H new ATOM 0 HB3 LEU A 28 36.510 13.300 -26.855 1.00 0.00 H new ATOM 0 HG LEU A 28 36.701 11.184 -28.828 1.00 0.00 H new ATOM 0 HD11 LEU A 28 34.393 11.308 -29.677 1.00 0.00 H new ATOM 0 HD12 LEU A 28 34.464 10.566 -28.061 1.00 0.00 H new ATOM 0 HD13 LEU A 28 33.922 12.252 -28.244 1.00 0.00 H new ATOM 0 HD21 LEU A 28 36.043 13.015 -30.339 1.00 0.00 H new ATOM 0 HD22 LEU A 28 35.635 14.024 -28.931 1.00 0.00 H new ATOM 0 HD23 LEU A 28 37.319 13.520 -29.206 1.00 0.00 H new ATOM 432 N CYS A 29 39.173 10.631 -28.080 1.00 0.00 N ATOM 433 CA CYS A 29 40.293 10.705 -29.013 1.00 0.00 C ATOM 434 C CYS A 29 39.814 10.589 -30.459 1.00 0.00 C ATOM 435 O CYS A 29 38.871 9.856 -30.753 1.00 0.00 O ATOM 436 CB CYS A 29 41.306 9.597 -28.712 1.00 0.00 C ATOM 437 SG CYS A 29 42.651 10.096 -27.588 1.00 0.00 S ATOM 0 H CYS A 29 38.750 9.706 -28.001 1.00 0.00 H new ATOM 0 HA CYS A 29 40.772 11.676 -28.887 1.00 0.00 H new ATOM 0 HB2 CYS A 29 40.780 8.748 -28.275 1.00 0.00 H new ATOM 0 HB3 CYS A 29 41.741 9.254 -29.651 1.00 0.00 H new ATOM 442 N THR A 30 40.473 11.317 -31.357 1.00 0.00 N ATOM 443 CA THR A 30 40.117 11.293 -32.773 1.00 0.00 C ATOM 444 C THR A 30 41.334 11.545 -33.654 1.00 0.00 C ATOM 445 O THR A 30 42.229 12.308 -33.290 1.00 0.00 O ATOM 446 CB THR A 30 39.046 12.348 -33.110 1.00 0.00 C ATOM 447 OG1 THR A 30 37.857 12.102 -32.350 1.00 0.00 O ATOM 448 CG2 THR A 30 38.719 12.332 -34.599 1.00 0.00 C ATOM 0 H THR A 30 41.256 11.930 -31.129 1.00 0.00 H new ATOM 0 HA THR A 30 39.718 10.298 -32.971 1.00 0.00 H new ATOM 0 HB THR A 30 39.442 13.330 -32.852 1.00 0.00 H new ATOM 0 HG1 THR A 30 37.272 12.887 -32.394 1.00 0.00 H new ATOM 0 HG21 THR A 30 37.961 13.085 -34.813 1.00 0.00 H new ATOM 0 HG22 THR A 30 39.620 12.551 -35.172 1.00 0.00 H new ATOM 0 HG23 THR A 30 38.342 11.348 -34.878 1.00 0.00 H new ATOM 456 N CYS A 31 41.353 10.913 -34.822 1.00 0.00 N ATOM 457 CA CYS A 31 42.453 11.084 -35.759 1.00 0.00 C ATOM 458 C CYS A 31 42.000 11.898 -36.966 1.00 0.00 C ATOM 459 O CYS A 31 41.270 11.403 -37.825 1.00 0.00 O ATOM 460 CB CYS A 31 42.998 9.731 -36.211 1.00 0.00 C ATOM 461 SG CYS A 31 41.734 8.572 -36.816 1.00 0.00 S ATOM 0 H CYS A 31 40.620 10.279 -35.141 1.00 0.00 H new ATOM 0 HA CYS A 31 43.252 11.623 -35.250 1.00 0.00 H new ATOM 0 HB2 CYS A 31 43.731 9.894 -37.001 1.00 0.00 H new ATOM 0 HB3 CYS A 31 43.526 9.269 -35.377 1.00 0.00 H new ATOM 466 N LEU A 32 42.432 13.151 -37.015 1.00 0.00 N ATOM 467 CA LEU A 32 42.065 14.045 -38.106 1.00 0.00 C ATOM 468 C LEU A 32 42.915 13.778 -39.347 1.00 0.00 C ATOM 469 O LEU A 32 42.598 12.898 -40.147 1.00 0.00 O ATOM 470 CB LEU A 32 42.214 15.507 -37.670 1.00 0.00 C ATOM 471 CG LEU A 32 43.286 15.762 -36.608 1.00 0.00 C ATOM 472 CD1 LEU A 32 43.997 17.078 -36.870 1.00 0.00 C ATOM 473 CD2 LEU A 32 42.668 15.751 -35.216 1.00 0.00 C ATOM 0 H LEU A 32 43.038 13.572 -36.311 1.00 0.00 H new ATOM 0 HA LEU A 32 41.022 13.854 -38.360 1.00 0.00 H new ATOM 0 HB2 LEU A 32 42.444 16.110 -38.548 1.00 0.00 H new ATOM 0 HB3 LEU A 32 41.255 15.855 -37.287 1.00 0.00 H new ATOM 0 HG LEU A 32 44.023 14.961 -36.663 1.00 0.00 H new ATOM 0 HD11 LEU A 32 44.755 17.241 -36.104 1.00 0.00 H new ATOM 0 HD12 LEU A 32 44.473 17.046 -37.850 1.00 0.00 H new ATOM 0 HD13 LEU A 32 43.274 17.893 -36.844 1.00 0.00 H new ATOM 0 HD21 LEU A 32 43.443 15.934 -34.472 1.00 0.00 H new ATOM 0 HD22 LEU A 32 41.909 16.531 -35.149 1.00 0.00 H new ATOM 0 HD23 LEU A 32 42.208 14.780 -35.030 1.00 0.00 H new ATOM 485 N GLY A 33 43.995 14.540 -39.503 1.00 0.00 N ATOM 486 CA GLY A 33 44.866 14.362 -40.651 1.00 0.00 C ATOM 487 C GLY A 33 46.330 14.486 -40.290 1.00 0.00 C ATOM 488 O GLY A 33 47.155 13.676 -40.715 1.00 0.00 O ATOM 0 H GLY A 33 44.281 15.275 -38.857 1.00 0.00 H new ATOM 0 HA2 GLY A 33 44.685 13.382 -41.092 1.00 0.00 H new ATOM 0 HA3 GLY A 33 44.618 15.104 -41.410 1.00 0.00 H new ATOM 492 N ASN A 34 46.654 15.500 -39.497 1.00 0.00 N ATOM 493 CA ASN A 34 48.028 15.728 -39.069 1.00 0.00 C ATOM 494 C ASN A 34 48.432 14.709 -38.013 1.00 0.00 C ATOM 495 O ASN A 34 49.605 14.356 -37.888 1.00 0.00 O ATOM 496 CB ASN A 34 48.186 17.146 -38.516 1.00 0.00 C ATOM 497 CG ASN A 34 47.701 17.267 -37.086 1.00 0.00 C ATOM 498 OD1 ASN A 34 46.584 17.718 -36.832 1.00 0.00 O ATOM 499 ND2 ASN A 34 48.541 16.866 -36.140 1.00 0.00 N ATOM 0 H ASN A 34 45.983 16.178 -39.137 1.00 0.00 H new ATOM 0 HA ASN A 34 48.681 15.614 -39.934 1.00 0.00 H new ATOM 0 HB2 ASN A 34 49.235 17.438 -38.567 1.00 0.00 H new ATOM 0 HB3 ASN A 34 47.631 17.842 -39.145 1.00 0.00 H new ATOM 0 HD21 ASN A 34 48.270 16.925 -35.159 1.00 0.00 H new ATOM 0 HD22 ASN A 34 49.458 16.498 -36.394 1.00 0.00 H new ATOM 506 N GLY A 35 47.448 14.239 -37.255 1.00 0.00 N ATOM 507 CA GLY A 35 47.711 13.261 -36.217 1.00 0.00 C ATOM 508 C GLY A 35 46.447 12.811 -35.514 1.00 0.00 C ATOM 509 O GLY A 35 45.474 12.420 -36.160 1.00 0.00 O ATOM 0 H GLY A 35 46.471 14.519 -37.341 1.00 0.00 H new ATOM 0 HA2 GLY A 35 48.208 12.395 -36.655 1.00 0.00 H new ATOM 0 HA3 GLY A 35 48.398 13.687 -35.486 1.00 0.00 H new ATOM 513 N VAL A 36 46.457 12.870 -34.187 1.00 0.00 N ATOM 514 CA VAL A 36 45.301 12.470 -33.396 1.00 0.00 C ATOM 515 C VAL A 36 45.035 13.477 -32.278 1.00 0.00 C ATOM 516 O VAL A 36 45.882 13.703 -31.415 1.00 0.00 O ATOM 517 CB VAL A 36 45.490 11.048 -32.805 1.00 0.00 C ATOM 518 CG1 VAL A 36 44.759 10.885 -31.477 1.00 0.00 C ATOM 519 CG2 VAL A 36 45.016 10.003 -33.798 1.00 0.00 C ATOM 0 H VAL A 36 47.254 13.191 -33.637 1.00 0.00 H new ATOM 0 HA VAL A 36 44.437 12.450 -34.060 1.00 0.00 H new ATOM 0 HB VAL A 36 46.554 10.907 -32.614 1.00 0.00 H new ATOM 0 HG11 VAL A 36 44.916 9.876 -31.097 1.00 0.00 H new ATOM 0 HG12 VAL A 36 45.145 11.608 -30.758 1.00 0.00 H new ATOM 0 HG13 VAL A 36 43.693 11.055 -31.626 1.00 0.00 H new ATOM 0 HG21 VAL A 36 45.153 9.009 -33.373 1.00 0.00 H new ATOM 0 HG22 VAL A 36 43.960 10.162 -34.017 1.00 0.00 H new ATOM 0 HG23 VAL A 36 45.594 10.087 -34.718 1.00 0.00 H new ATOM 529 N SER A 37 43.849 14.075 -32.305 1.00 0.00 N ATOM 530 CA SER A 37 43.460 15.054 -31.298 1.00 0.00 C ATOM 531 C SER A 37 42.340 14.506 -30.423 1.00 0.00 C ATOM 532 O SER A 37 41.371 13.934 -30.924 1.00 0.00 O ATOM 533 CB SER A 37 43.011 16.356 -31.965 1.00 0.00 C ATOM 534 OG SER A 37 42.750 17.360 -30.999 1.00 0.00 O ATOM 0 H SER A 37 43.139 13.898 -33.016 1.00 0.00 H new ATOM 0 HA SER A 37 44.327 15.260 -30.670 1.00 0.00 H new ATOM 0 HB2 SER A 37 43.783 16.701 -32.653 1.00 0.00 H new ATOM 0 HB3 SER A 37 42.114 16.175 -32.557 1.00 0.00 H new ATOM 0 HG SER A 37 42.467 18.182 -31.450 1.00 0.00 H new ATOM 540 N CYS A 38 42.479 14.676 -29.113 1.00 0.00 N ATOM 541 CA CYS A 38 41.477 14.189 -28.174 1.00 0.00 C ATOM 542 C CYS A 38 40.979 15.307 -27.265 1.00 0.00 C ATOM 543 O CYS A 38 41.647 16.327 -27.093 1.00 0.00 O ATOM 544 CB CYS A 38 42.055 13.052 -27.329 1.00 0.00 C ATOM 545 SG CYS A 38 43.176 11.944 -28.241 1.00 0.00 S ATOM 0 H CYS A 38 43.273 15.146 -28.679 1.00 0.00 H new ATOM 0 HA CYS A 38 40.631 13.817 -28.751 1.00 0.00 H new ATOM 0 HB2 CYS A 38 42.593 13.480 -26.483 1.00 0.00 H new ATOM 0 HB3 CYS A 38 41.234 12.464 -26.920 1.00 0.00 H new ATOM 550 N GLN A 39 39.802 15.103 -26.684 1.00 0.00 N ATOM 551 CA GLN A 39 39.207 16.085 -25.786 1.00 0.00 C ATOM 552 C GLN A 39 39.290 15.608 -24.340 1.00 0.00 C ATOM 553 O GLN A 39 38.428 14.864 -23.872 1.00 0.00 O ATOM 554 CB GLN A 39 37.747 16.339 -26.169 1.00 0.00 C ATOM 555 CG GLN A 39 37.329 17.794 -26.045 1.00 0.00 C ATOM 556 CD GLN A 39 36.455 18.248 -27.197 1.00 0.00 C ATOM 557 OE1 GLN A 39 36.636 19.340 -27.735 1.00 0.00 O ATOM 558 NE2 GLN A 39 35.499 17.410 -27.582 1.00 0.00 N ATOM 0 H GLN A 39 39.239 14.263 -26.820 1.00 0.00 H new ATOM 0 HA GLN A 39 39.765 17.017 -25.879 1.00 0.00 H new ATOM 0 HB2 GLN A 39 37.587 16.010 -27.196 1.00 0.00 H new ATOM 0 HB3 GLN A 39 37.103 15.730 -25.535 1.00 0.00 H new ATOM 0 HG2 GLN A 39 36.791 17.935 -25.108 1.00 0.00 H new ATOM 0 HG3 GLN A 39 38.219 18.422 -25.999 1.00 0.00 H new ATOM 0 HE21 GLN A 39 35.384 16.514 -27.108 1.00 0.00 H new ATOM 0 HE22 GLN A 39 34.879 17.662 -28.352 1.00 0.00 H new ATOM 636 N GLN A 45 28.791 22.226 -20.137 1.00 0.00 N ATOM 637 CA GLN A 45 27.651 22.827 -19.453 1.00 0.00 C ATOM 638 C GLN A 45 26.453 22.943 -20.392 1.00 0.00 C ATOM 639 O GLN A 45 26.577 22.735 -21.600 1.00 0.00 O ATOM 640 CB GLN A 45 28.023 24.210 -18.911 1.00 0.00 C ATOM 641 CG GLN A 45 29.393 24.258 -18.254 1.00 0.00 C ATOM 642 CD GLN A 45 29.486 23.353 -17.041 1.00 0.00 C ATOM 643 OE1 GLN A 45 30.369 22.500 -16.954 1.00 0.00 O ATOM 644 NE2 GLN A 45 28.573 23.538 -16.095 1.00 0.00 N ATOM 0 HA GLN A 45 27.378 22.180 -18.620 1.00 0.00 H new ATOM 0 HB2 GLN A 45 27.996 24.931 -19.728 1.00 0.00 H new ATOM 0 HB3 GLN A 45 27.271 24.521 -18.186 1.00 0.00 H new ATOM 0 HG2 GLN A 45 30.151 23.966 -18.980 1.00 0.00 H new ATOM 0 HG3 GLN A 45 29.614 25.283 -17.957 1.00 0.00 H new ATOM 0 HE21 GLN A 45 27.859 24.257 -16.209 1.00 0.00 H new ATOM 0 HE22 GLN A 45 28.586 22.961 -15.254 1.00 0.00 H new ATOM 653 N THR A 46 25.296 23.276 -19.830 1.00 0.00 N ATOM 654 CA THR A 46 24.076 23.419 -20.616 1.00 0.00 C ATOM 655 C THR A 46 23.207 24.553 -20.077 1.00 0.00 C ATOM 656 O THR A 46 23.225 24.845 -18.882 1.00 0.00 O ATOM 657 CB THR A 46 23.256 22.116 -20.627 1.00 0.00 C ATOM 658 OG1 THR A 46 23.304 21.495 -19.336 1.00 0.00 O ATOM 659 CG2 THR A 46 23.785 21.150 -21.677 1.00 0.00 C ATOM 0 H THR A 46 25.177 23.452 -18.832 1.00 0.00 H new ATOM 0 HA THR A 46 24.382 23.652 -21.636 1.00 0.00 H new ATOM 0 HB THR A 46 22.224 22.366 -20.873 1.00 0.00 H new ATOM 0 HG1 THR A 46 22.434 21.590 -18.895 1.00 0.00 H new ATOM 0 HG21 THR A 46 23.189 20.237 -21.665 1.00 0.00 H new ATOM 0 HG22 THR A 46 23.721 21.612 -22.662 1.00 0.00 H new ATOM 0 HG23 THR A 46 24.825 20.907 -21.457 1.00 0.00 H new ATOM 667 N TYR A 47 22.450 25.188 -20.967 1.00 0.00 N ATOM 668 CA TYR A 47 21.578 26.292 -20.579 1.00 0.00 C ATOM 669 C TYR A 47 20.295 26.290 -21.406 1.00 0.00 C ATOM 670 O TYR A 47 20.337 26.222 -22.634 1.00 0.00 O ATOM 671 CB TYR A 47 22.305 27.625 -20.753 1.00 0.00 C ATOM 672 CG TYR A 47 22.568 27.988 -22.199 1.00 0.00 C ATOM 673 CD1 TYR A 47 23.681 27.494 -22.867 1.00 0.00 C ATOM 674 CD2 TYR A 47 21.703 28.825 -22.894 1.00 0.00 C ATOM 675 CE1 TYR A 47 23.925 27.822 -24.187 1.00 0.00 C ATOM 676 CE2 TYR A 47 21.940 29.157 -24.214 1.00 0.00 C ATOM 677 CZ TYR A 47 23.051 28.654 -24.855 1.00 0.00 C ATOM 678 OH TYR A 47 23.290 28.983 -26.170 1.00 0.00 O ATOM 0 H TYR A 47 22.423 24.958 -21.960 1.00 0.00 H new ATOM 0 HA TYR A 47 21.313 26.162 -19.530 1.00 0.00 H new ATOM 0 HB2 TYR A 47 21.713 28.415 -20.291 1.00 0.00 H new ATOM 0 HB3 TYR A 47 23.254 27.584 -20.219 1.00 0.00 H new ATOM 0 HD1 TYR A 47 24.367 26.843 -22.346 1.00 0.00 H new ATOM 0 HD2 TYR A 47 20.832 29.222 -22.394 1.00 0.00 H new ATOM 0 HE1 TYR A 47 24.795 27.429 -24.693 1.00 0.00 H new ATOM 0 HE2 TYR A 47 21.258 29.808 -24.741 1.00 0.00 H new ATOM 0 HH TYR A 47 22.580 29.576 -26.493 1.00 0.00 H new ATOM 688 N GLY A 48 19.157 26.369 -20.727 1.00 0.00 N ATOM 689 CA GLY A 48 17.882 26.378 -21.419 1.00 0.00 C ATOM 690 C GLY A 48 17.806 25.319 -22.502 1.00 0.00 C ATOM 691 O GLY A 48 17.828 24.123 -22.212 1.00 0.00 O ATOM 0 H GLY A 48 19.094 26.427 -19.711 1.00 0.00 H new ATOM 0 HA2 GLY A 48 17.080 26.216 -20.699 1.00 0.00 H new ATOM 0 HA3 GLY A 48 17.719 27.360 -21.863 1.00 0.00 H new ATOM 695 N GLY A 49 17.719 25.760 -23.752 1.00 0.00 N ATOM 696 CA GLY A 49 17.644 24.830 -24.862 1.00 0.00 C ATOM 697 C GLY A 49 16.265 24.221 -25.018 1.00 0.00 C ATOM 698 O GLY A 49 15.295 24.926 -25.302 1.00 0.00 O ATOM 0 H GLY A 49 17.699 26.745 -24.016 1.00 0.00 H new ATOM 0 HA2 GLY A 49 17.916 25.346 -25.783 1.00 0.00 H new ATOM 0 HA3 GLY A 49 18.374 24.034 -24.715 1.00 0.00 H new ATOM 702 N ASN A 50 16.177 22.909 -24.832 1.00 0.00 N ATOM 703 CA ASN A 50 14.908 22.203 -24.953 1.00 0.00 C ATOM 704 C ASN A 50 14.598 21.416 -23.683 1.00 0.00 C ATOM 705 O ASN A 50 13.541 20.796 -23.570 1.00 0.00 O ATOM 706 CB ASN A 50 14.941 21.258 -26.156 1.00 0.00 C ATOM 707 CG ASN A 50 13.808 21.520 -27.129 1.00 0.00 C ATOM 708 OD1 ASN A 50 13.706 22.603 -27.704 1.00 0.00 O ATOM 709 ND2 ASN A 50 12.949 20.525 -27.316 1.00 0.00 N ATOM 0 H ASN A 50 16.970 22.313 -24.597 1.00 0.00 H new ATOM 0 HA ASN A 50 14.122 22.943 -25.100 1.00 0.00 H new ATOM 0 HB2 ASN A 50 15.894 21.367 -26.674 1.00 0.00 H new ATOM 0 HB3 ASN A 50 14.885 20.227 -25.806 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.165 20.642 -27.958 1.00 0.00 H new ATOM 0 HD22 ASN A 50 13.073 19.644 -26.817 1.00 0.00 H new ATOM 716 N SER A 51 15.527 21.443 -22.731 1.00 0.00 N ATOM 717 CA SER A 51 15.350 20.727 -21.473 1.00 0.00 C ATOM 718 C SER A 51 15.794 21.580 -20.289 1.00 0.00 C ATOM 719 O SER A 51 16.045 21.063 -19.200 1.00 0.00 O ATOM 720 CB SER A 51 16.137 19.418 -21.494 1.00 0.00 C ATOM 721 OG SER A 51 15.298 18.312 -21.208 1.00 0.00 O ATOM 0 H SER A 51 16.408 21.952 -22.807 1.00 0.00 H new ATOM 0 HA SER A 51 14.289 20.506 -21.358 1.00 0.00 H new ATOM 0 HB2 SER A 51 16.599 19.284 -22.472 1.00 0.00 H new ATOM 0 HB3 SER A 51 16.944 19.464 -20.763 1.00 0.00 H new ATOM 0 HG SER A 51 15.821 17.610 -20.767 1.00 0.00 H new ATOM 727 N ASN A 52 15.890 22.888 -20.508 1.00 0.00 N ATOM 728 CA ASN A 52 16.303 23.811 -19.458 1.00 0.00 C ATOM 729 C ASN A 52 17.765 23.593 -19.078 1.00 0.00 C ATOM 730 O ASN A 52 18.262 24.188 -18.122 1.00 0.00 O ATOM 731 CB ASN A 52 15.411 23.644 -18.227 1.00 0.00 C ATOM 732 CG ASN A 52 15.891 24.466 -17.048 1.00 0.00 C ATOM 733 OD1 ASN A 52 16.604 23.967 -16.178 1.00 0.00 O ATOM 734 ND2 ASN A 52 15.499 25.735 -17.013 1.00 0.00 N ATOM 0 H ASN A 52 15.687 23.332 -21.404 1.00 0.00 H new ATOM 0 HA ASN A 52 16.198 24.826 -19.841 1.00 0.00 H new ATOM 0 HB2 ASN A 52 14.391 23.936 -18.479 1.00 0.00 H new ATOM 0 HB3 ASN A 52 15.381 22.592 -17.944 1.00 0.00 H new ATOM 0 HD21 ASN A 52 15.789 26.337 -16.243 1.00 0.00 H new ATOM 0 HD22 ASN A 52 14.908 26.107 -17.756 1.00 0.00 H new ATOM 741 N GLY A 53 18.450 22.740 -19.834 1.00 0.00 N ATOM 742 CA GLY A 53 19.849 22.465 -19.559 1.00 0.00 C ATOM 743 C GLY A 53 20.045 21.202 -18.745 1.00 0.00 C ATOM 744 O GLY A 53 20.856 21.172 -17.820 1.00 0.00 O ATOM 0 H GLY A 53 18.062 22.235 -20.631 1.00 0.00 H new ATOM 0 HA2 GLY A 53 20.390 22.373 -20.501 1.00 0.00 H new ATOM 0 HA3 GLY A 53 20.283 23.309 -19.023 1.00 0.00 H new ATOM 748 N GLU A 54 19.302 20.155 -19.088 1.00 0.00 N ATOM 749 CA GLU A 54 19.400 18.883 -18.382 1.00 0.00 C ATOM 750 C GLU A 54 20.625 18.100 -18.842 1.00 0.00 C ATOM 751 O GLU A 54 21.219 18.408 -19.876 1.00 0.00 O ATOM 752 CB GLU A 54 18.135 18.053 -18.605 1.00 0.00 C ATOM 753 CG GLU A 54 17.031 18.346 -17.603 1.00 0.00 C ATOM 754 CD GLU A 54 17.552 18.525 -16.191 1.00 0.00 C ATOM 755 OE1 GLU A 54 17.652 17.516 -15.462 1.00 0.00 O ATOM 756 OE2 GLU A 54 17.859 19.675 -15.813 1.00 0.00 O ATOM 0 H GLU A 54 18.625 20.162 -19.851 1.00 0.00 H new ATOM 0 HA GLU A 54 19.504 19.093 -17.317 1.00 0.00 H new ATOM 0 HB2 GLU A 54 17.760 18.240 -19.611 1.00 0.00 H new ATOM 0 HB3 GLU A 54 18.391 16.995 -18.552 1.00 0.00 H new ATOM 0 HG2 GLU A 54 16.501 19.249 -17.907 1.00 0.00 H new ATOM 0 HG3 GLU A 54 16.307 17.531 -17.618 1.00 0.00 H new ATOM 763 N PRO A 55 21.016 17.070 -18.077 1.00 0.00 N ATOM 764 CA PRO A 55 22.176 16.234 -18.407 1.00 0.00 C ATOM 765 C PRO A 55 22.019 15.536 -19.753 1.00 0.00 C ATOM 766 O PRO A 55 21.133 14.700 -19.932 1.00 0.00 O ATOM 767 CB PRO A 55 22.219 15.204 -17.271 1.00 0.00 C ATOM 768 CG PRO A 55 20.857 15.231 -16.667 1.00 0.00 C ATOM 769 CD PRO A 55 20.360 16.638 -16.835 1.00 0.00 C ATOM 0 HA PRO A 55 23.088 16.824 -18.494 1.00 0.00 H new ATOM 0 HB2 PRO A 55 22.463 14.211 -17.649 1.00 0.00 H new ATOM 0 HB3 PRO A 55 22.981 15.461 -16.535 1.00 0.00 H new ATOM 0 HG2 PRO A 55 20.195 14.521 -17.164 1.00 0.00 H new ATOM 0 HG3 PRO A 55 20.891 14.952 -15.614 1.00 0.00 H new ATOM 0 HD2 PRO A 55 19.274 16.676 -16.917 1.00 0.00 H new ATOM 0 HD3 PRO A 55 20.638 17.269 -15.990 1.00 0.00 H new ATOM 777 N CYS A 56 22.885 15.887 -20.699 1.00 0.00 N ATOM 778 CA CYS A 56 22.843 15.295 -22.031 1.00 0.00 C ATOM 779 C CYS A 56 22.832 13.772 -21.953 1.00 0.00 C ATOM 780 O CYS A 56 22.648 13.198 -20.880 1.00 0.00 O ATOM 781 CB CYS A 56 24.034 15.773 -22.862 1.00 0.00 C ATOM 782 SG CYS A 56 24.334 17.569 -22.768 1.00 0.00 S ATOM 0 H CYS A 56 23.624 16.578 -20.568 1.00 0.00 H new ATOM 0 HA CYS A 56 21.921 15.617 -22.516 1.00 0.00 H new ATOM 0 HB2 CYS A 56 24.929 15.248 -22.529 1.00 0.00 H new ATOM 0 HB3 CYS A 56 23.871 15.497 -23.904 1.00 0.00 H new ATOM 787 N VAL A 57 23.020 13.122 -23.097 1.00 0.00 N ATOM 788 CA VAL A 57 23.019 11.665 -23.156 1.00 0.00 C ATOM 789 C VAL A 57 23.966 11.153 -24.236 1.00 0.00 C ATOM 790 O VAL A 57 23.564 10.392 -25.117 1.00 0.00 O ATOM 791 CB VAL A 57 21.607 11.121 -23.436 1.00 0.00 C ATOM 792 CG1 VAL A 57 21.179 11.454 -24.856 1.00 0.00 C ATOM 793 CG2 VAL A 57 21.553 9.621 -23.193 1.00 0.00 C ATOM 0 H VAL A 57 23.175 13.581 -23.995 1.00 0.00 H new ATOM 0 HA VAL A 57 23.358 11.310 -22.183 1.00 0.00 H new ATOM 0 HB VAL A 57 20.910 11.601 -22.749 1.00 0.00 H new ATOM 0 HG11 VAL A 57 20.178 11.061 -25.036 1.00 0.00 H new ATOM 0 HG12 VAL A 57 21.174 12.536 -24.990 1.00 0.00 H new ATOM 0 HG13 VAL A 57 21.877 11.004 -25.562 1.00 0.00 H new ATOM 0 HG21 VAL A 57 20.546 9.255 -23.396 1.00 0.00 H new ATOM 0 HG22 VAL A 57 22.261 9.120 -23.853 1.00 0.00 H new ATOM 0 HG23 VAL A 57 21.813 9.411 -22.155 1.00 0.00 H new ATOM 803 N LEU A 58 25.224 11.570 -24.161 1.00 0.00 N ATOM 804 CA LEU A 58 26.224 11.144 -25.135 1.00 0.00 C ATOM 805 C LEU A 58 27.163 10.107 -24.533 1.00 0.00 C ATOM 806 O LEU A 58 27.181 9.895 -23.320 1.00 0.00 O ATOM 807 CB LEU A 58 27.033 12.338 -25.657 1.00 0.00 C ATOM 808 CG LEU A 58 26.905 13.635 -24.853 1.00 0.00 C ATOM 809 CD1 LEU A 58 25.463 14.119 -24.843 1.00 0.00 C ATOM 810 CD2 LEU A 58 27.420 13.442 -23.434 1.00 0.00 C ATOM 0 H LEU A 58 25.576 12.200 -23.440 1.00 0.00 H new ATOM 0 HA LEU A 58 25.692 10.693 -25.972 1.00 0.00 H new ATOM 0 HB2 LEU A 58 28.085 12.054 -25.687 1.00 0.00 H new ATOM 0 HB3 LEU A 58 26.727 12.538 -26.684 1.00 0.00 H new ATOM 0 HG LEU A 58 27.517 14.398 -25.335 1.00 0.00 H new ATOM 0 HD11 LEU A 58 25.393 15.042 -24.267 1.00 0.00 H new ATOM 0 HD12 LEU A 58 25.134 14.304 -25.866 1.00 0.00 H new ATOM 0 HD13 LEU A 58 24.827 13.359 -24.389 1.00 0.00 H new ATOM 0 HD21 LEU A 58 27.320 14.376 -22.880 1.00 0.00 H new ATOM 0 HD22 LEU A 58 26.840 12.663 -22.939 1.00 0.00 H new ATOM 0 HD23 LEU A 58 28.469 13.149 -23.465 1.00 0.00 H new ATOM 822 N PRO A 59 27.957 9.442 -25.385 1.00 0.00 N ATOM 823 CA PRO A 59 27.945 9.685 -26.830 1.00 0.00 C ATOM 824 C PRO A 59 26.676 9.161 -27.496 1.00 0.00 C ATOM 825 O PRO A 59 26.299 8.004 -27.311 1.00 0.00 O ATOM 826 CB PRO A 59 29.168 8.916 -27.330 1.00 0.00 C ATOM 827 CG PRO A 59 29.380 7.838 -26.322 1.00 0.00 C ATOM 828 CD PRO A 59 28.931 8.405 -25.002 1.00 0.00 C ATOM 0 HA PRO A 59 27.970 10.749 -27.064 1.00 0.00 H new ATOM 0 HB2 PRO A 59 28.995 8.500 -28.323 1.00 0.00 H new ATOM 0 HB3 PRO A 59 30.040 9.565 -27.404 1.00 0.00 H new ATOM 0 HG2 PRO A 59 28.807 6.947 -26.578 1.00 0.00 H new ATOM 0 HG3 PRO A 59 30.428 7.542 -26.283 1.00 0.00 H new ATOM 0 HD2 PRO A 59 28.476 7.641 -24.371 1.00 0.00 H new ATOM 0 HD3 PRO A 59 29.766 8.826 -24.442 1.00 0.00 H new ATOM 836 N PHE A 60 26.025 10.019 -28.275 1.00 0.00 N ATOM 837 CA PHE A 60 24.803 9.642 -28.974 1.00 0.00 C ATOM 838 C PHE A 60 25.057 9.532 -30.474 1.00 0.00 C ATOM 839 O PHE A 60 26.174 9.754 -30.940 1.00 0.00 O ATOM 840 CB PHE A 60 23.698 10.666 -28.706 1.00 0.00 C ATOM 841 CG PHE A 60 24.158 12.090 -28.828 1.00 0.00 C ATOM 842 CD1 PHE A 60 24.600 12.586 -30.044 1.00 0.00 C ATOM 843 CD2 PHE A 60 24.151 12.931 -27.727 1.00 0.00 C ATOM 844 CE1 PHE A 60 25.024 13.895 -30.161 1.00 0.00 C ATOM 845 CE2 PHE A 60 24.574 14.242 -27.837 1.00 0.00 C ATOM 846 CZ PHE A 60 25.012 14.725 -29.056 1.00 0.00 C ATOM 0 H PHE A 60 26.324 10.980 -28.438 1.00 0.00 H new ATOM 0 HA PHE A 60 24.482 8.670 -28.601 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.879 10.496 -29.405 1.00 0.00 H new ATOM 0 HB3 PHE A 60 23.300 10.506 -27.704 1.00 0.00 H new ATOM 0 HD1 PHE A 60 24.613 11.941 -30.910 1.00 0.00 H new ATOM 0 HD2 PHE A 60 23.811 12.558 -26.772 1.00 0.00 H new ATOM 0 HE1 PHE A 60 25.365 14.270 -31.115 1.00 0.00 H new ATOM 0 HE2 PHE A 60 24.562 14.888 -26.972 1.00 0.00 H new ATOM 0 HZ PHE A 60 25.344 15.749 -29.145 1.00 0.00 H new ATOM 856 N THR A 61 24.016 9.190 -31.226 1.00 0.00 N ATOM 857 CA THR A 61 24.136 9.055 -32.671 1.00 0.00 C ATOM 858 C THR A 61 23.191 10.009 -33.392 1.00 0.00 C ATOM 859 O THR A 61 21.982 9.990 -33.165 1.00 0.00 O ATOM 860 CB THR A 61 23.838 7.614 -33.129 1.00 0.00 C ATOM 861 OG1 THR A 61 24.028 6.704 -32.038 1.00 0.00 O ATOM 862 CG2 THR A 61 24.738 7.219 -34.290 1.00 0.00 C ATOM 0 H THR A 61 23.083 9.002 -30.859 1.00 0.00 H new ATOM 0 HA THR A 61 25.166 9.304 -32.926 1.00 0.00 H new ATOM 0 HB THR A 61 22.801 7.568 -33.462 1.00 0.00 H new ATOM 0 HG1 THR A 61 23.835 5.791 -32.336 1.00 0.00 H new ATOM 0 HG21 THR A 61 24.510 6.198 -34.596 1.00 0.00 H new ATOM 0 HG22 THR A 61 24.569 7.896 -35.128 1.00 0.00 H new ATOM 0 HG23 THR A 61 25.781 7.280 -33.979 1.00 0.00 H new ATOM 870 N TYR A 62 23.751 10.844 -34.261 1.00 0.00 N ATOM 871 CA TYR A 62 22.954 11.805 -35.013 1.00 0.00 C ATOM 872 C TYR A 62 23.434 11.902 -36.458 1.00 0.00 C ATOM 873 O TYR A 62 24.630 12.012 -36.717 1.00 0.00 O ATOM 874 CB TYR A 62 23.013 13.184 -34.352 1.00 0.00 C ATOM 875 CG TYR A 62 22.433 14.290 -35.206 1.00 0.00 C ATOM 876 CD1 TYR A 62 21.079 14.317 -35.514 1.00 0.00 C ATOM 877 CD2 TYR A 62 23.239 15.307 -35.702 1.00 0.00 C ATOM 878 CE1 TYR A 62 20.544 15.325 -36.296 1.00 0.00 C ATOM 879 CE2 TYR A 62 22.712 16.320 -36.483 1.00 0.00 C ATOM 880 CZ TYR A 62 21.364 16.323 -36.776 1.00 0.00 C ATOM 881 OH TYR A 62 20.836 17.328 -37.554 1.00 0.00 O ATOM 0 H TYR A 62 24.751 10.874 -34.461 1.00 0.00 H new ATOM 0 HA TYR A 62 21.922 11.455 -35.014 1.00 0.00 H new ATOM 0 HB2 TYR A 62 22.475 13.147 -33.405 1.00 0.00 H new ATOM 0 HB3 TYR A 62 24.051 13.422 -34.119 1.00 0.00 H new ATOM 0 HD1 TYR A 62 20.433 13.538 -35.137 1.00 0.00 H new ATOM 0 HD2 TYR A 62 24.295 15.307 -35.474 1.00 0.00 H new ATOM 0 HE1 TYR A 62 19.489 15.330 -36.529 1.00 0.00 H new ATOM 0 HE2 TYR A 62 23.352 17.104 -36.861 1.00 0.00 H new ATOM 0 HH TYR A 62 19.903 17.484 -37.298 1.00 0.00 H new ATOM 891 N ASN A 63 22.487 11.863 -37.389 1.00 0.00 N ATOM 892 CA ASN A 63 22.789 11.949 -38.814 1.00 0.00 C ATOM 893 C ASN A 63 23.646 10.777 -39.289 1.00 0.00 C ATOM 894 O ASN A 63 24.129 10.771 -40.420 1.00 0.00 O ATOM 895 CB ASN A 63 23.448 13.284 -39.143 1.00 0.00 C ATOM 896 CG ASN A 63 24.933 13.305 -38.916 1.00 0.00 C ATOM 897 OD1 ASN A 63 25.592 12.271 -38.799 1.00 0.00 O ATOM 898 ND2 ASN A 63 25.474 14.499 -38.864 1.00 0.00 N ATOM 0 H ASN A 63 21.493 11.771 -37.179 1.00 0.00 H new ATOM 0 HA ASN A 63 21.844 11.890 -39.355 1.00 0.00 H new ATOM 0 HB2 ASN A 63 23.247 13.530 -40.186 1.00 0.00 H new ATOM 0 HB3 ASN A 63 22.987 14.064 -38.537 1.00 0.00 H new ATOM 0 HD21 ASN A 63 26.479 14.598 -38.722 1.00 0.00 H new ATOM 0 HD22 ASN A 63 24.889 15.329 -38.966 1.00 0.00 H new ATOM 905 N GLY A 64 23.818 9.779 -38.426 1.00 0.00 N ATOM 906 CA GLY A 64 24.603 8.613 -38.795 1.00 0.00 C ATOM 907 C GLY A 64 25.931 8.521 -38.066 1.00 0.00 C ATOM 908 O GLY A 64 26.560 7.463 -38.053 1.00 0.00 O ATOM 0 H GLY A 64 23.430 9.756 -37.483 1.00 0.00 H new ATOM 0 HA2 GLY A 64 24.022 7.714 -38.590 1.00 0.00 H new ATOM 0 HA3 GLY A 64 24.788 8.635 -39.869 1.00 0.00 H new ATOM 912 N ARG A 65 26.365 9.621 -37.460 1.00 0.00 N ATOM 913 CA ARG A 65 27.630 9.633 -36.736 1.00 0.00 C ATOM 914 C ARG A 65 27.404 9.582 -35.231 1.00 0.00 C ATOM 915 O ARG A 65 26.331 9.194 -34.766 1.00 0.00 O ATOM 916 CB ARG A 65 28.452 10.871 -37.102 1.00 0.00 C ATOM 917 CG ARG A 65 27.879 12.171 -36.563 1.00 0.00 C ATOM 918 CD ARG A 65 28.341 13.360 -37.387 1.00 0.00 C ATOM 919 NE ARG A 65 28.099 13.153 -38.809 1.00 0.00 N ATOM 920 CZ ARG A 65 28.455 14.017 -39.754 1.00 0.00 C ATOM 921 NH1 ARG A 65 29.067 15.147 -39.426 1.00 0.00 N ATOM 922 NH2 ARG A 65 28.194 13.754 -41.027 1.00 0.00 N ATOM 0 H ARG A 65 25.864 10.509 -37.456 1.00 0.00 H new ATOM 0 HA ARG A 65 28.186 8.743 -37.029 1.00 0.00 H new ATOM 0 HB2 ARG A 65 29.466 10.747 -36.722 1.00 0.00 H new ATOM 0 HB3 ARG A 65 28.524 10.939 -38.187 1.00 0.00 H new ATOM 0 HG2 ARG A 65 26.790 12.122 -36.570 1.00 0.00 H new ATOM 0 HG3 ARG A 65 28.185 12.304 -35.525 1.00 0.00 H new ATOM 0 HD2 ARG A 65 27.820 14.258 -37.055 1.00 0.00 H new ATOM 0 HD3 ARG A 65 29.405 13.529 -37.219 1.00 0.00 H new ATOM 0 HE ARG A 65 27.629 12.295 -39.096 1.00 0.00 H new ATOM 0 HH11 ARG A 65 29.265 15.354 -38.447 1.00 0.00 H new ATOM 0 HH12 ARG A 65 29.340 15.809 -40.153 1.00 0.00 H new ATOM 0 HH21 ARG A 65 27.719 12.888 -41.282 1.00 0.00 H new ATOM 0 HH22 ARG A 65 28.468 14.418 -41.751 1.00 0.00 H new ATOM 936 N THR A 66 28.423 9.971 -34.473 1.00 0.00 N ATOM 937 CA THR A 66 28.338 9.963 -33.018 1.00 0.00 C ATOM 938 C THR A 66 29.063 11.160 -32.412 1.00 0.00 C ATOM 939 O THR A 66 30.077 11.618 -32.939 1.00 0.00 O ATOM 940 CB THR A 66 28.935 8.671 -32.432 1.00 0.00 C ATOM 941 OG1 THR A 66 28.465 7.533 -33.166 1.00 0.00 O ATOM 942 CG2 THR A 66 28.562 8.521 -30.964 1.00 0.00 C ATOM 0 H THR A 66 29.317 10.296 -34.842 1.00 0.00 H new ATOM 0 HA THR A 66 27.279 10.019 -32.765 1.00 0.00 H new ATOM 0 HB THR A 66 30.020 8.731 -32.513 1.00 0.00 H new ATOM 0 HG1 THR A 66 28.852 6.716 -32.786 1.00 0.00 H new ATOM 0 HG21 THR A 66 28.995 7.601 -30.571 1.00 0.00 H new ATOM 0 HG22 THR A 66 28.947 9.372 -30.402 1.00 0.00 H new ATOM 0 HG23 THR A 66 27.477 8.482 -30.866 1.00 0.00 H new ATOM 950 N PHE A 67 28.537 11.657 -31.299 1.00 0.00 N ATOM 951 CA PHE A 67 29.133 12.798 -30.613 1.00 0.00 C ATOM 952 C PHE A 67 29.156 12.567 -29.106 1.00 0.00 C ATOM 953 O PHE A 67 28.127 12.272 -28.499 1.00 0.00 O ATOM 954 CB PHE A 67 28.358 14.079 -30.932 1.00 0.00 C ATOM 955 CG PHE A 67 27.797 14.116 -32.325 1.00 0.00 C ATOM 956 CD1 PHE A 67 26.884 13.161 -32.745 1.00 0.00 C ATOM 957 CD2 PHE A 67 28.180 15.109 -33.213 1.00 0.00 C ATOM 958 CE1 PHE A 67 26.366 13.196 -34.025 1.00 0.00 C ATOM 959 CE2 PHE A 67 27.663 15.149 -34.494 1.00 0.00 C ATOM 960 CZ PHE A 67 26.755 14.191 -34.900 1.00 0.00 C ATOM 0 H PHE A 67 27.698 11.288 -30.852 1.00 0.00 H new ATOM 0 HA PHE A 67 30.158 12.908 -30.966 1.00 0.00 H new ATOM 0 HB2 PHE A 67 27.541 14.186 -30.218 1.00 0.00 H new ATOM 0 HB3 PHE A 67 29.017 14.936 -30.793 1.00 0.00 H new ATOM 0 HD1 PHE A 67 26.575 12.382 -32.064 1.00 0.00 H new ATOM 0 HD2 PHE A 67 28.890 15.860 -32.900 1.00 0.00 H new ATOM 0 HE1 PHE A 67 25.657 12.445 -34.341 1.00 0.00 H new ATOM 0 HE2 PHE A 67 27.969 15.928 -35.176 1.00 0.00 H new ATOM 0 HZ PHE A 67 26.350 14.220 -35.901 1.00 0.00 H new ATOM 970 N TYR A 68 30.334 12.700 -28.508 1.00 0.00 N ATOM 971 CA TYR A 68 30.486 12.502 -27.072 1.00 0.00 C ATOM 972 C TYR A 68 30.211 13.795 -26.310 1.00 0.00 C ATOM 973 O TYR A 68 30.488 13.893 -25.114 1.00 0.00 O ATOM 974 CB TYR A 68 31.893 11.997 -26.753 1.00 0.00 C ATOM 975 CG TYR A 68 32.157 10.590 -27.240 1.00 0.00 C ATOM 976 CD1 TYR A 68 32.071 10.274 -28.590 1.00 0.00 C ATOM 977 CD2 TYR A 68 32.496 9.579 -26.350 1.00 0.00 C ATOM 978 CE1 TYR A 68 32.314 8.989 -29.040 1.00 0.00 C ATOM 979 CE2 TYR A 68 32.741 8.292 -26.791 1.00 0.00 C ATOM 980 CZ TYR A 68 32.648 8.003 -28.137 1.00 0.00 C ATOM 981 OH TYR A 68 32.890 6.722 -28.580 1.00 0.00 O ATOM 0 H TYR A 68 31.197 12.944 -28.995 1.00 0.00 H new ATOM 0 HA TYR A 68 29.758 11.755 -26.755 1.00 0.00 H new ATOM 0 HB2 TYR A 68 32.622 12.671 -27.203 1.00 0.00 H new ATOM 0 HB3 TYR A 68 32.047 12.034 -25.675 1.00 0.00 H new ATOM 0 HD1 TYR A 68 31.810 11.045 -29.300 1.00 0.00 H new ATOM 0 HD2 TYR A 68 32.569 9.802 -25.296 1.00 0.00 H new ATOM 0 HE1 TYR A 68 32.242 8.760 -30.093 1.00 0.00 H new ATOM 0 HE2 TYR A 68 33.004 7.517 -26.086 1.00 0.00 H new ATOM 0 HH TYR A 68 33.114 6.149 -27.817 1.00 0.00 H new ATOM 991 N SER A 69 29.665 14.784 -27.009 1.00 0.00 N ATOM 992 CA SER A 69 29.353 16.069 -26.396 1.00 0.00 C ATOM 993 C SER A 69 28.400 16.875 -27.272 1.00 0.00 C ATOM 994 O SER A 69 27.837 16.355 -28.236 1.00 0.00 O ATOM 995 CB SER A 69 30.635 16.866 -26.153 1.00 0.00 C ATOM 996 OG SER A 69 31.759 16.204 -26.708 1.00 0.00 O ATOM 0 H SER A 69 29.430 14.720 -27.999 1.00 0.00 H new ATOM 0 HA SER A 69 28.865 15.877 -25.441 1.00 0.00 H new ATOM 0 HB2 SER A 69 30.539 17.858 -26.593 1.00 0.00 H new ATOM 0 HB3 SER A 69 30.783 17.005 -25.082 1.00 0.00 H new ATOM 0 HG SER A 69 32.566 16.734 -26.541 1.00 0.00 H new ATOM 1002 N CYS A 70 28.226 18.147 -26.933 1.00 0.00 N ATOM 1003 CA CYS A 70 27.345 19.026 -27.685 1.00 0.00 C ATOM 1004 C CYS A 70 27.763 19.088 -29.150 1.00 0.00 C ATOM 1005 O CYS A 70 28.813 18.567 -29.525 1.00 0.00 O ATOM 1006 CB CYS A 70 27.358 20.426 -27.072 1.00 0.00 C ATOM 1007 SG CYS A 70 26.674 20.502 -25.384 1.00 0.00 S ATOM 0 H CYS A 70 28.686 18.592 -26.139 1.00 0.00 H new ATOM 0 HA CYS A 70 26.333 18.625 -27.636 1.00 0.00 H new ATOM 0 HB2 CYS A 70 28.384 20.794 -27.054 1.00 0.00 H new ATOM 0 HB3 CYS A 70 26.789 21.098 -27.714 1.00 0.00 H new ATOM 1012 N THR A 71 26.938 19.724 -29.974 1.00 0.00 N ATOM 1013 CA THR A 71 27.230 19.844 -31.397 1.00 0.00 C ATOM 1014 C THR A 71 26.297 20.843 -32.071 1.00 0.00 C ATOM 1015 O THR A 71 25.267 21.222 -31.513 1.00 0.00 O ATOM 1016 CB THR A 71 27.108 18.486 -32.111 1.00 0.00 C ATOM 1017 OG1 THR A 71 27.614 18.587 -33.448 1.00 0.00 O ATOM 1018 CG2 THR A 71 25.659 18.022 -32.147 1.00 0.00 C ATOM 0 H THR A 71 26.065 20.163 -29.682 1.00 0.00 H new ATOM 0 HA THR A 71 28.257 20.200 -31.478 1.00 0.00 H new ATOM 0 HB THR A 71 27.695 17.755 -31.555 1.00 0.00 H new ATOM 0 HG1 THR A 71 28.249 17.859 -33.613 1.00 0.00 H new ATOM 0 HG21 THR A 71 25.597 17.060 -32.656 1.00 0.00 H new ATOM 0 HG22 THR A 71 25.285 17.918 -31.129 1.00 0.00 H new ATOM 0 HG23 THR A 71 25.055 18.755 -32.682 1.00 0.00 H new ATOM 1026 N THR A 72 26.665 21.262 -33.278 1.00 0.00 N ATOM 1027 CA THR A 72 25.862 22.216 -34.031 1.00 0.00 C ATOM 1028 C THR A 72 25.457 21.643 -35.385 1.00 0.00 C ATOM 1029 O THR A 72 25.161 22.386 -36.321 1.00 0.00 O ATOM 1030 CB THR A 72 26.622 23.536 -34.253 1.00 0.00 C ATOM 1031 OG1 THR A 72 27.924 23.270 -34.790 1.00 0.00 O ATOM 1032 CG2 THR A 72 26.754 24.309 -32.948 1.00 0.00 C ATOM 0 H THR A 72 27.513 20.956 -33.754 1.00 0.00 H new ATOM 0 HA THR A 72 24.968 22.415 -33.440 1.00 0.00 H new ATOM 0 HB THR A 72 26.056 24.141 -34.961 1.00 0.00 H new ATOM 0 HG1 THR A 72 28.399 24.116 -34.929 1.00 0.00 H new ATOM 0 HG21 THR A 72 27.294 25.238 -33.129 1.00 0.00 H new ATOM 0 HG22 THR A 72 25.762 24.536 -32.558 1.00 0.00 H new ATOM 0 HG23 THR A 72 27.300 23.707 -32.222 1.00 0.00 H new ATOM 1040 N GLU A 73 25.447 20.317 -35.483 1.00 0.00 N ATOM 1041 CA GLU A 73 25.079 19.644 -36.723 1.00 0.00 C ATOM 1042 C GLU A 73 23.564 19.596 -36.890 1.00 0.00 C ATOM 1043 O GLU A 73 23.049 19.698 -38.004 1.00 0.00 O ATOM 1044 CB GLU A 73 25.652 18.225 -36.746 1.00 0.00 C ATOM 1045 CG GLU A 73 27.166 18.181 -36.633 1.00 0.00 C ATOM 1046 CD GLU A 73 27.837 19.339 -37.345 1.00 0.00 C ATOM 1047 OE1 GLU A 73 27.879 20.447 -36.768 1.00 0.00 O ATOM 1048 OE2 GLU A 73 28.321 19.141 -38.479 1.00 0.00 O ATOM 0 H GLU A 73 25.690 19.688 -34.718 1.00 0.00 H new ATOM 0 HA GLU A 73 25.498 20.212 -37.553 1.00 0.00 H new ATOM 0 HB2 GLU A 73 25.218 17.653 -35.926 1.00 0.00 H new ATOM 0 HB3 GLU A 73 25.350 17.735 -37.672 1.00 0.00 H new ATOM 0 HG2 GLU A 73 27.449 18.193 -35.580 1.00 0.00 H new ATOM 0 HG3 GLU A 73 27.531 17.242 -37.050 1.00 0.00 H new ATOM 1055 N GLY A 74 22.856 19.438 -35.778 1.00 0.00 N ATOM 1056 CA GLY A 74 21.406 19.378 -35.825 1.00 0.00 C ATOM 1057 C GLY A 74 20.752 20.601 -35.218 1.00 0.00 C ATOM 1058 O GLY A 74 20.023 20.501 -34.231 1.00 0.00 O ATOM 0 H GLY A 74 23.259 19.350 -34.845 1.00 0.00 H new ATOM 0 HA2 GLY A 74 21.084 19.275 -36.861 1.00 0.00 H new ATOM 0 HA3 GLY A 74 21.066 18.488 -35.295 1.00 0.00 H new ATOM 1122 N HIS A 79 23.800 27.648 -31.618 1.00 0.00 N ATOM 1123 CA HIS A 79 24.183 27.336 -30.247 1.00 0.00 C ATOM 1124 C HIS A 79 24.373 25.833 -30.065 1.00 0.00 C ATOM 1125 O HIS A 79 23.489 25.043 -30.395 1.00 0.00 O ATOM 1126 CB HIS A 79 23.121 27.848 -29.272 1.00 0.00 C ATOM 1127 CG HIS A 79 22.373 29.043 -29.777 1.00 0.00 C ATOM 1128 ND1 HIS A 79 22.980 30.075 -30.464 1.00 0.00 N ATOM 1129 CD2 HIS A 79 21.062 29.370 -29.692 1.00 0.00 C ATOM 1130 CE1 HIS A 79 22.073 30.983 -30.779 1.00 0.00 C ATOM 1131 NE2 HIS A 79 20.902 30.579 -30.323 1.00 0.00 N ATOM 0 HA HIS A 79 25.130 27.833 -30.037 1.00 0.00 H new ATOM 0 HB2 HIS A 79 22.412 27.046 -29.065 1.00 0.00 H new ATOM 0 HB3 HIS A 79 23.600 28.102 -28.326 1.00 0.00 H new ATOM 0 HD2 HIS A 79 20.286 28.788 -29.216 1.00 0.00 H new ATOM 0 HE1 HIS A 79 22.258 31.900 -31.318 1.00 0.00 H new ATOM 0 HE2 HIS A 79 20.021 31.083 -30.423 1.00 0.00 H new ATOM 1140 N LEU A 80 25.527 25.443 -29.532 1.00 0.00 N ATOM 1141 CA LEU A 80 25.821 24.034 -29.304 1.00 0.00 C ATOM 1142 C LEU A 80 24.675 23.366 -28.554 1.00 0.00 C ATOM 1143 O LEU A 80 24.270 23.823 -27.485 1.00 0.00 O ATOM 1144 CB LEU A 80 27.122 23.885 -28.514 1.00 0.00 C ATOM 1145 CG LEU A 80 28.401 23.928 -29.354 1.00 0.00 C ATOM 1146 CD1 LEU A 80 28.509 25.249 -30.098 1.00 0.00 C ATOM 1147 CD2 LEU A 80 29.622 23.710 -28.473 1.00 0.00 C ATOM 0 H LEU A 80 26.271 26.081 -29.251 1.00 0.00 H new ATOM 0 HA LEU A 80 25.938 23.545 -30.271 1.00 0.00 H new ATOM 0 HB2 LEU A 80 27.169 24.679 -27.768 1.00 0.00 H new ATOM 0 HB3 LEU A 80 27.093 22.940 -27.972 1.00 0.00 H new ATOM 0 HG LEU A 80 28.357 23.124 -30.089 1.00 0.00 H new ATOM 0 HD11 LEU A 80 29.425 25.260 -30.689 1.00 0.00 H new ATOM 0 HD12 LEU A 80 27.650 25.366 -30.758 1.00 0.00 H new ATOM 0 HD13 LEU A 80 28.530 26.070 -29.381 1.00 0.00 H new ATOM 0 HD21 LEU A 80 30.523 23.743 -29.085 1.00 0.00 H new ATOM 0 HD22 LEU A 80 29.669 24.493 -27.716 1.00 0.00 H new ATOM 0 HD23 LEU A 80 29.550 22.738 -27.986 1.00 0.00 H new ATOM 1159 N TRP A 81 24.148 22.288 -29.124 1.00 0.00 N ATOM 1160 CA TRP A 81 23.040 21.567 -28.510 1.00 0.00 C ATOM 1161 C TRP A 81 23.411 20.115 -28.228 1.00 0.00 C ATOM 1162 O TRP A 81 24.330 19.567 -28.836 1.00 0.00 O ATOM 1163 CB TRP A 81 21.812 21.620 -29.419 1.00 0.00 C ATOM 1164 CG TRP A 81 22.025 20.942 -30.737 1.00 0.00 C ATOM 1165 CD1 TRP A 81 22.362 21.537 -31.920 1.00 0.00 C ATOM 1166 CD2 TRP A 81 21.920 19.540 -31.008 1.00 0.00 C ATOM 1167 NE1 TRP A 81 22.469 20.588 -32.909 1.00 0.00 N ATOM 1168 CE2 TRP A 81 22.203 19.356 -32.374 1.00 0.00 C ATOM 1169 CE3 TRP A 81 21.613 18.422 -30.227 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 22.189 18.100 -32.975 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 21.599 17.175 -30.825 1.00 0.00 C ATOM 1172 CH2 TRP A 81 21.886 17.022 -32.187 1.00 0.00 C ATOM 0 H TRP A 81 24.470 21.895 -30.009 1.00 0.00 H new ATOM 0 HA TRP A 81 22.811 22.050 -27.560 1.00 0.00 H new ATOM 0 HB2 TRP A 81 20.970 21.152 -28.909 1.00 0.00 H new ATOM 0 HB3 TRP A 81 21.541 22.661 -29.593 1.00 0.00 H new ATOM 0 HD1 TRP A 81 22.521 22.596 -32.058 1.00 0.00 H new ATOM 0 HE1 TRP A 81 22.708 20.772 -33.883 1.00 0.00 H new ATOM 0 HE3 TRP A 81 21.391 18.530 -29.176 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 22.409 17.980 -34.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 21.363 16.304 -30.231 1.00 0.00 H new ATOM 0 HH2 TRP A 81 21.868 16.035 -32.624 1.00 0.00 H new ATOM 1183 N CYS A 82 22.682 19.497 -27.304 1.00 0.00 N ATOM 1184 CA CYS A 82 22.921 18.105 -26.939 1.00 0.00 C ATOM 1185 C CYS A 82 21.604 17.398 -26.633 1.00 0.00 C ATOM 1186 O CYS A 82 20.587 18.045 -26.385 1.00 0.00 O ATOM 1187 CB CYS A 82 23.859 18.024 -25.732 1.00 0.00 C ATOM 1188 SG CYS A 82 23.047 18.346 -24.132 1.00 0.00 S ATOM 0 H CYS A 82 21.918 19.940 -26.793 1.00 0.00 H new ATOM 0 HA CYS A 82 23.395 17.604 -27.784 1.00 0.00 H new ATOM 0 HB2 CYS A 82 24.312 17.033 -25.704 1.00 0.00 H new ATOM 0 HB3 CYS A 82 24.669 18.741 -25.867 1.00 0.00 H new ATOM 1193 N SER A 83 21.625 16.070 -26.656 1.00 0.00 N ATOM 1194 CA SER A 83 20.424 15.286 -26.384 1.00 0.00 C ATOM 1195 C SER A 83 20.392 14.824 -24.932 1.00 0.00 C ATOM 1196 O SER A 83 21.349 14.230 -24.441 1.00 0.00 O ATOM 1197 CB SER A 83 20.358 14.076 -27.319 1.00 0.00 C ATOM 1198 OG SER A 83 19.288 13.217 -26.967 1.00 0.00 O ATOM 0 H SER A 83 22.456 15.515 -26.859 1.00 0.00 H new ATOM 0 HA SER A 83 19.557 15.922 -26.562 1.00 0.00 H new ATOM 0 HB2 SER A 83 20.234 14.414 -28.348 1.00 0.00 H new ATOM 0 HB3 SER A 83 21.299 13.527 -27.275 1.00 0.00 H new ATOM 0 HG SER A 83 19.616 12.296 -26.903 1.00 0.00 H new ATOM 1204 N THR A 84 19.284 15.097 -24.250 1.00 0.00 N ATOM 1205 CA THR A 84 19.132 14.703 -22.854 1.00 0.00 C ATOM 1206 C THR A 84 18.578 13.287 -22.744 1.00 0.00 C ATOM 1207 O THR A 84 18.244 12.824 -21.654 1.00 0.00 O ATOM 1208 CB THR A 84 18.206 15.667 -22.087 1.00 0.00 C ATOM 1209 OG1 THR A 84 16.840 15.269 -22.249 1.00 0.00 O ATOM 1210 CG2 THR A 84 18.384 17.100 -22.573 1.00 0.00 C ATOM 0 H THR A 84 18.480 15.588 -24.640 1.00 0.00 H new ATOM 0 HA THR A 84 20.125 14.741 -22.407 1.00 0.00 H new ATOM 0 HB THR A 84 18.474 15.625 -21.031 1.00 0.00 H new ATOM 0 HG1 THR A 84 16.251 16.012 -22.000 1.00 0.00 H new ATOM 0 HG21 THR A 84 17.719 17.759 -22.015 1.00 0.00 H new ATOM 0 HG22 THR A 84 19.417 17.411 -22.418 1.00 0.00 H new ATOM 0 HG23 THR A 84 18.144 17.157 -23.635 1.00 0.00 H new ATOM 1218 N THR A 85 18.481 12.605 -23.881 1.00 0.00 N ATOM 1219 CA THR A 85 17.966 11.243 -23.915 1.00 0.00 C ATOM 1220 C THR A 85 18.414 10.528 -25.191 1.00 0.00 C ATOM 1221 O THR A 85 18.411 11.111 -26.275 1.00 0.00 O ATOM 1222 CB THR A 85 16.417 11.241 -23.793 1.00 0.00 C ATOM 1223 OG1 THR A 85 16.037 10.863 -22.465 1.00 0.00 O ATOM 1224 CG2 THR A 85 15.751 10.300 -24.792 1.00 0.00 C ATOM 0 H THR A 85 18.753 12.975 -24.792 1.00 0.00 H new ATOM 0 HA THR A 85 18.374 10.700 -23.062 1.00 0.00 H new ATOM 0 HB THR A 85 16.078 12.253 -24.016 1.00 0.00 H new ATOM 0 HG1 THR A 85 16.604 11.331 -21.817 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.669 10.338 -24.662 1.00 0.00 H new ATOM 0 HG22 THR A 85 16.006 10.607 -25.806 1.00 0.00 H new ATOM 0 HG23 THR A 85 16.101 9.282 -24.622 1.00 0.00 H new ATOM 1232 N SER A 86 18.800 9.264 -25.054 1.00 0.00 N ATOM 1233 CA SER A 86 19.254 8.474 -26.194 1.00 0.00 C ATOM 1234 C SER A 86 18.378 8.728 -27.419 1.00 0.00 C ATOM 1235 O SER A 86 18.883 8.995 -28.509 1.00 0.00 O ATOM 1236 CB SER A 86 19.242 6.985 -25.846 1.00 0.00 C ATOM 1237 OG SER A 86 20.546 6.523 -25.534 1.00 0.00 O ATOM 0 H SER A 86 18.808 8.764 -24.165 1.00 0.00 H new ATOM 0 HA SER A 86 20.274 8.778 -26.430 1.00 0.00 H new ATOM 0 HB2 SER A 86 18.579 6.812 -24.998 1.00 0.00 H new ATOM 0 HB3 SER A 86 18.842 6.416 -26.685 1.00 0.00 H new ATOM 0 HG SER A 86 20.511 5.569 -25.313 1.00 0.00 H new ATOM 1243 N ASN A 87 17.066 8.642 -27.231 1.00 0.00 N ATOM 1244 CA ASN A 87 16.118 8.860 -28.318 1.00 0.00 C ATOM 1245 C ASN A 87 15.892 10.348 -28.557 1.00 0.00 C ATOM 1246 O ASN A 87 14.902 10.916 -28.096 1.00 0.00 O ATOM 1247 CB ASN A 87 14.786 8.176 -27.998 1.00 0.00 C ATOM 1248 CG ASN A 87 14.403 7.123 -29.022 1.00 0.00 C ATOM 1249 OD1 ASN A 87 13.226 6.942 -29.331 1.00 0.00 O ATOM 1250 ND2 ASN A 87 15.394 6.412 -29.546 1.00 0.00 N ATOM 0 H ASN A 87 16.633 8.422 -26.334 1.00 0.00 H new ATOM 0 HA ASN A 87 16.537 8.427 -29.226 1.00 0.00 H new ATOM 0 HB2 ASN A 87 14.848 7.713 -27.013 1.00 0.00 H new ATOM 0 HB3 ASN A 87 14.000 8.929 -27.947 1.00 0.00 H new ATOM 0 HD21 ASN A 87 15.192 5.684 -30.232 1.00 0.00 H new ATOM 0 HD22 ASN A 87 16.357 6.593 -29.263 1.00 0.00 H new ATOM 1257 N TYR A 88 16.809 10.976 -29.287 1.00 0.00 N ATOM 1258 CA TYR A 88 16.699 12.397 -29.589 1.00 0.00 C ATOM 1259 C TYR A 88 15.777 12.619 -30.780 1.00 0.00 C ATOM 1260 O TYR A 88 15.024 13.592 -30.825 1.00 0.00 O ATOM 1261 CB TYR A 88 18.076 12.994 -29.879 1.00 0.00 C ATOM 1262 CG TYR A 88 18.015 14.348 -30.546 1.00 0.00 C ATOM 1263 CD1 TYR A 88 17.391 15.422 -29.923 1.00 0.00 C ATOM 1264 CD2 TYR A 88 18.579 14.554 -31.797 1.00 0.00 C ATOM 1265 CE1 TYR A 88 17.330 16.662 -30.529 1.00 0.00 C ATOM 1266 CE2 TYR A 88 18.523 15.792 -32.411 1.00 0.00 C ATOM 1267 CZ TYR A 88 17.898 16.841 -31.773 1.00 0.00 C ATOM 1268 OH TYR A 88 17.839 18.075 -32.380 1.00 0.00 O ATOM 0 H TYR A 88 17.635 10.523 -29.679 1.00 0.00 H new ATOM 0 HA TYR A 88 16.277 12.897 -28.718 1.00 0.00 H new ATOM 0 HB2 TYR A 88 18.630 13.082 -28.944 1.00 0.00 H new ATOM 0 HB3 TYR A 88 18.634 12.308 -30.516 1.00 0.00 H new ATOM 0 HD1 TYR A 88 16.946 15.285 -28.948 1.00 0.00 H new ATOM 0 HD2 TYR A 88 19.070 13.734 -32.300 1.00 0.00 H new ATOM 0 HE1 TYR A 88 16.840 17.486 -30.032 1.00 0.00 H new ATOM 0 HE2 TYR A 88 18.967 15.936 -33.385 1.00 0.00 H new ATOM 0 HH TYR A 88 17.640 18.761 -31.709 1.00 0.00 H new ATOM 1278 N GLU A 89 15.837 11.705 -31.742 1.00 0.00 N ATOM 1279 CA GLU A 89 15.001 11.796 -32.931 1.00 0.00 C ATOM 1280 C GLU A 89 13.586 11.307 -32.633 1.00 0.00 C ATOM 1281 O GLU A 89 12.743 11.236 -33.527 1.00 0.00 O ATOM 1282 CB GLU A 89 15.608 10.979 -34.073 1.00 0.00 C ATOM 1283 CG GLU A 89 16.820 11.637 -34.714 1.00 0.00 C ATOM 1284 CD GLU A 89 16.852 11.458 -36.220 1.00 0.00 C ATOM 1285 OE1 GLU A 89 15.795 11.639 -36.862 1.00 0.00 O ATOM 1286 OE2 GLU A 89 17.933 11.138 -36.757 1.00 0.00 O ATOM 0 H GLU A 89 16.455 10.894 -31.721 1.00 0.00 H new ATOM 0 HA GLU A 89 14.951 12.842 -33.233 1.00 0.00 H new ATOM 0 HB2 GLU A 89 15.895 9.998 -33.694 1.00 0.00 H new ATOM 0 HB3 GLU A 89 14.847 10.816 -34.836 1.00 0.00 H new ATOM 0 HG2 GLU A 89 16.818 12.701 -34.478 1.00 0.00 H new ATOM 0 HG3 GLU A 89 17.728 11.216 -34.282 1.00 0.00 H new ATOM 1293 N GLN A 90 13.335 10.969 -31.371 1.00 0.00 N ATOM 1294 CA GLN A 90 12.026 10.485 -30.954 1.00 0.00 C ATOM 1295 C GLN A 90 11.442 11.374 -29.861 1.00 0.00 C ATOM 1296 O GLN A 90 10.271 11.755 -29.912 1.00 0.00 O ATOM 1297 CB GLN A 90 12.135 9.041 -30.456 1.00 0.00 C ATOM 1298 CG GLN A 90 11.033 8.640 -29.488 1.00 0.00 C ATOM 1299 CD GLN A 90 9.677 8.537 -30.158 1.00 0.00 C ATOM 1300 OE1 GLN A 90 9.184 9.503 -30.741 1.00 0.00 O ATOM 1301 NE2 GLN A 90 9.065 7.361 -30.077 1.00 0.00 N ATOM 0 H GLN A 90 14.023 11.022 -30.620 1.00 0.00 H new ATOM 0 HA GLN A 90 11.358 10.517 -31.814 1.00 0.00 H new ATOM 0 HB2 GLN A 90 12.115 8.368 -31.314 1.00 0.00 H new ATOM 0 HB3 GLN A 90 13.101 8.907 -29.968 1.00 0.00 H new ATOM 0 HG2 GLN A 90 11.284 7.681 -29.035 1.00 0.00 H new ATOM 0 HG3 GLN A 90 10.981 9.370 -28.680 1.00 0.00 H new ATOM 0 HE21 GLN A 90 9.510 6.587 -29.584 1.00 0.00 H new ATOM 0 HE22 GLN A 90 8.150 7.232 -30.508 1.00 0.00 H new ATOM 1310 N ASP A 91 12.265 11.696 -28.872 1.00 0.00 N ATOM 1311 CA ASP A 91 11.837 12.536 -27.759 1.00 0.00 C ATOM 1312 C ASP A 91 11.924 14.015 -28.122 1.00 0.00 C ATOM 1313 O ASP A 91 11.128 14.827 -27.651 1.00 0.00 O ATOM 1314 CB ASP A 91 12.692 12.253 -26.523 1.00 0.00 C ATOM 1315 CG ASP A 91 12.254 13.066 -25.319 1.00 0.00 C ATOM 1316 OD1 ASP A 91 11.376 13.939 -25.480 1.00 0.00 O ATOM 1317 OD2 ASP A 91 12.790 12.828 -24.217 1.00 0.00 O ATOM 0 H ASP A 91 13.236 11.388 -28.817 1.00 0.00 H new ATOM 0 HA ASP A 91 10.797 12.297 -27.538 1.00 0.00 H new ATOM 0 HB2 ASP A 91 12.636 11.192 -26.281 1.00 0.00 H new ATOM 0 HB3 ASP A 91 13.735 12.474 -26.748 1.00 0.00 H new ATOM 1322 N GLN A 92 12.897 14.359 -28.958 1.00 0.00 N ATOM 1323 CA GLN A 92 13.087 15.741 -29.378 1.00 0.00 C ATOM 1324 C GLN A 92 13.258 16.654 -28.167 1.00 0.00 C ATOM 1325 O GLN A 92 12.581 17.676 -28.047 1.00 0.00 O ATOM 1326 CB GLN A 92 11.900 16.209 -30.223 1.00 0.00 C ATOM 1327 CG GLN A 92 12.197 16.264 -31.713 1.00 0.00 C ATOM 1328 CD GLN A 92 12.356 14.887 -32.327 1.00 0.00 C ATOM 1329 OE1 GLN A 92 13.473 14.430 -32.575 1.00 0.00 O ATOM 1330 NE2 GLN A 92 11.238 14.217 -32.578 1.00 0.00 N ATOM 0 H GLN A 92 13.565 13.700 -29.358 1.00 0.00 H new ATOM 0 HA GLN A 92 13.993 15.792 -29.982 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.057 15.538 -30.054 1.00 0.00 H new ATOM 0 HB3 GLN A 92 11.593 17.199 -29.886 1.00 0.00 H new ATOM 0 HG2 GLN A 92 11.391 16.793 -32.221 1.00 0.00 H new ATOM 0 HG3 GLN A 92 13.109 16.838 -31.877 1.00 0.00 H new ATOM 0 HE21 GLN A 92 10.333 14.633 -32.357 1.00 0.00 H new ATOM 0 HE22 GLN A 92 11.283 13.286 -32.992 1.00 0.00 H new ATOM 1339 N LYS A 93 14.172 16.281 -27.277 1.00 0.00 N ATOM 1340 CA LYS A 93 14.440 17.069 -26.078 1.00 0.00 C ATOM 1341 C LYS A 93 15.940 17.315 -25.918 1.00 0.00 C ATOM 1342 O LYS A 93 16.613 16.686 -25.103 1.00 0.00 O ATOM 1343 CB LYS A 93 13.836 16.393 -24.831 1.00 0.00 C ATOM 1344 CG LYS A 93 14.603 15.187 -24.295 1.00 0.00 C ATOM 1345 CD LYS A 93 14.880 14.153 -25.374 1.00 0.00 C ATOM 1346 CE LYS A 93 16.293 14.282 -25.921 1.00 0.00 C ATOM 1347 NZ LYS A 93 16.765 13.016 -26.543 1.00 0.00 N ATOM 0 H LYS A 93 14.740 15.438 -27.363 1.00 0.00 H new ATOM 0 HA LYS A 93 13.958 18.040 -26.187 1.00 0.00 H new ATOM 0 HB2 LYS A 93 13.763 17.136 -24.037 1.00 0.00 H new ATOM 0 HB3 LYS A 93 12.820 16.078 -25.067 1.00 0.00 H new ATOM 0 HG2 LYS A 93 15.547 15.522 -23.865 1.00 0.00 H new ATOM 0 HG3 LYS A 93 14.032 14.725 -23.490 1.00 0.00 H new ATOM 0 HD2 LYS A 93 14.737 13.153 -24.966 1.00 0.00 H new ATOM 0 HD3 LYS A 93 14.162 14.272 -26.186 1.00 0.00 H new ATOM 0 HE2 LYS A 93 16.325 15.083 -26.660 1.00 0.00 H new ATOM 0 HE3 LYS A 93 16.970 14.565 -25.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 17.619 13.203 -27.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 16.986 12.325 -25.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 16.020 12.634 -27.160 1.00 0.00 H new ATOM 1361 N TYR A 94 16.459 18.237 -26.721 1.00 0.00 N ATOM 1362 CA TYR A 94 17.878 18.571 -26.691 1.00 0.00 C ATOM 1363 C TYR A 94 18.158 19.738 -25.749 1.00 0.00 C ATOM 1364 O TYR A 94 17.237 20.356 -25.213 1.00 0.00 O ATOM 1365 CB TYR A 94 18.361 18.919 -28.100 1.00 0.00 C ATOM 1366 CG TYR A 94 17.826 20.236 -28.617 1.00 0.00 C ATOM 1367 CD1 TYR A 94 18.224 21.442 -28.049 1.00 0.00 C ATOM 1368 CD2 TYR A 94 16.925 20.275 -29.672 1.00 0.00 C ATOM 1369 CE1 TYR A 94 17.735 22.648 -28.521 1.00 0.00 C ATOM 1370 CE2 TYR A 94 16.433 21.475 -30.150 1.00 0.00 C ATOM 1371 CZ TYR A 94 16.842 22.658 -29.570 1.00 0.00 C ATOM 1372 OH TYR A 94 16.354 23.855 -30.042 1.00 0.00 O ATOM 0 H TYR A 94 15.917 18.768 -27.403 1.00 0.00 H new ATOM 0 HA TYR A 94 18.419 17.700 -26.321 1.00 0.00 H new ATOM 0 HB2 TYR A 94 19.450 18.953 -28.103 1.00 0.00 H new ATOM 0 HB3 TYR A 94 18.065 18.123 -28.783 1.00 0.00 H new ATOM 0 HD1 TYR A 94 18.925 21.437 -27.227 1.00 0.00 H new ATOM 0 HD2 TYR A 94 16.602 19.351 -30.128 1.00 0.00 H new ATOM 0 HE1 TYR A 94 18.052 23.576 -28.069 1.00 0.00 H new ATOM 0 HE2 TYR A 94 15.733 21.486 -30.972 1.00 0.00 H new ATOM 0 HH TYR A 94 15.736 23.687 -30.784 1.00 0.00 H new ATOM 1382 N SER A 95 19.440 20.035 -25.562 1.00 0.00 N ATOM 1383 CA SER A 95 19.859 21.129 -24.695 1.00 0.00 C ATOM 1384 C SER A 95 20.801 22.066 -25.443 1.00 0.00 C ATOM 1385 O SER A 95 20.883 22.025 -26.671 1.00 0.00 O ATOM 1386 CB SER A 95 20.547 20.584 -23.443 1.00 0.00 C ATOM 1387 OG SER A 95 20.139 19.253 -23.174 1.00 0.00 O ATOM 0 H SER A 95 20.209 19.530 -26.002 1.00 0.00 H new ATOM 0 HA SER A 95 18.974 21.688 -24.392 1.00 0.00 H new ATOM 0 HB2 SER A 95 21.628 20.616 -23.576 1.00 0.00 H new ATOM 0 HB3 SER A 95 20.311 21.219 -22.589 1.00 0.00 H new ATOM 0 HG SER A 95 20.873 18.638 -23.382 1.00 0.00 H new ATOM 1393 N PHE A 96 21.515 22.908 -24.703 1.00 0.00 N ATOM 1394 CA PHE A 96 22.447 23.848 -25.313 1.00 0.00 C ATOM 1395 C PHE A 96 23.846 23.701 -24.726 1.00 0.00 C ATOM 1396 O PHE A 96 24.091 22.841 -23.880 1.00 0.00 O ATOM 1397 CB PHE A 96 21.958 25.285 -25.129 1.00 0.00 C ATOM 1398 CG PHE A 96 21.033 25.751 -26.218 1.00 0.00 C ATOM 1399 CD1 PHE A 96 21.246 25.375 -27.536 1.00 0.00 C ATOM 1400 CD2 PHE A 96 19.950 26.562 -25.922 1.00 0.00 C ATOM 1401 CE1 PHE A 96 20.394 25.801 -28.537 1.00 0.00 C ATOM 1402 CE2 PHE A 96 19.095 26.990 -26.921 1.00 0.00 C ATOM 1403 CZ PHE A 96 19.318 26.608 -28.230 1.00 0.00 C ATOM 0 H PHE A 96 21.466 22.958 -23.685 1.00 0.00 H new ATOM 0 HA PHE A 96 22.495 23.619 -26.378 1.00 0.00 H new ATOM 0 HB2 PHE A 96 21.446 25.366 -24.170 1.00 0.00 H new ATOM 0 HB3 PHE A 96 22.820 25.951 -25.087 1.00 0.00 H new ATOM 0 HD1 PHE A 96 22.086 24.743 -27.782 1.00 0.00 H new ATOM 0 HD2 PHE A 96 19.771 26.863 -24.900 1.00 0.00 H new ATOM 0 HE1 PHE A 96 20.570 25.502 -29.560 1.00 0.00 H new ATOM 0 HE2 PHE A 96 18.254 27.622 -26.678 1.00 0.00 H new ATOM 0 HZ PHE A 96 18.651 26.941 -29.012 1.00 0.00 H new ATOM 1413 N CYS A 97 24.757 24.549 -25.187 1.00 0.00 N ATOM 1414 CA CYS A 97 26.136 24.526 -24.719 1.00 0.00 C ATOM 1415 C CYS A 97 26.760 25.912 -24.828 1.00 0.00 C ATOM 1416 O CYS A 97 26.743 26.528 -25.893 1.00 0.00 O ATOM 1417 CB CYS A 97 26.951 23.519 -25.529 1.00 0.00 C ATOM 1418 SG CYS A 97 27.586 22.116 -24.557 1.00 0.00 S ATOM 0 H CYS A 97 24.564 25.264 -25.888 1.00 0.00 H new ATOM 0 HA CYS A 97 26.140 24.224 -23.672 1.00 0.00 H new ATOM 0 HB2 CYS A 97 26.331 23.134 -26.338 1.00 0.00 H new ATOM 0 HB3 CYS A 97 27.792 24.037 -25.990 1.00 0.00 H new ATOM 1423 N THR A 98 27.308 26.400 -23.720 1.00 0.00 N ATOM 1424 CA THR A 98 27.934 27.718 -23.697 1.00 0.00 C ATOM 1425 C THR A 98 29.450 27.612 -23.807 1.00 0.00 C ATOM 1426 O THR A 98 30.160 28.611 -23.698 1.00 0.00 O ATOM 1427 CB THR A 98 27.573 28.502 -22.418 1.00 0.00 C ATOM 1428 OG1 THR A 98 28.752 29.073 -21.835 1.00 0.00 O ATOM 1429 CG2 THR A 98 26.887 27.606 -21.397 1.00 0.00 C ATOM 0 H THR A 98 27.332 25.905 -22.829 1.00 0.00 H new ATOM 0 HA THR A 98 27.547 28.259 -24.560 1.00 0.00 H new ATOM 0 HB THR A 98 26.884 29.297 -22.701 1.00 0.00 H new ATOM 0 HG1 THR A 98 29.250 29.566 -22.520 1.00 0.00 H new ATOM 0 HG21 THR A 98 26.645 28.187 -20.507 1.00 0.00 H new ATOM 0 HG22 THR A 98 25.970 27.201 -21.826 1.00 0.00 H new ATOM 0 HG23 THR A 98 27.553 26.787 -21.126 1.00 0.00 H new